SCHEMBL440223

SCHEMBL440223

O=c1[nH]cnc2[nH][c]nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
ADORA2A P29274 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
XDH P47989 1/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ACHE P22303 1/20 0.37
GDA Q9Y2T3 1/20 0.37
PDPK1 O15530 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
PARP1 P09874 6/20 0.33
BCL2 P10415 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hypoxanthine SCHEMBL822613 0.72 TSHR (0.47) SMN1; SMN2TSHRRAB9ALMNAADORA2A
Hypoxanthine SCHEMBL30266940 0.70 TSHR (0.45) SMN1; SMN2TSHRRAB9ALMNAADORA2A
SCHEMBL14793560 0.68 ALDH1A1 (0.59) SMN1; SMN2TSHRRAB9ALMNAADORA2A
Hypoxanthine SCHEMBL29533161 0.65 TSHR (0.41) SMN1; SMN2TSHRRAB9ALMNAADORA2A
SCHEMBL14094281 0.65 SMN1; SMN2 (0.46) SMN1; SMN2TSHRRAB9ALMNAADORA2A
SCHEMBL6379644 0.64 ALDH1A1 (0.53) SMN1; SMN2TSHRRAB9ALMNAADORA2A
SCHEMBL3592847 0.64 JAK2 (0.33) PARP1JAK2PIM1
SCHEMBL21332344 0.64 ALDH1A1 (0.59) XDHALDH1A1ACHEGDA
SCHEMBL3941170 0.63 ACHE (0.40) SMN1; SMN2TSHRRAB9ALMNAADORA2A
SCHEMBL1992700 0.63 PARP1 (0.41) SMN1; SMN2TSHRRAB9ALMNAADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143643-A1 LOW DK COPPER CLAD LAMINATE COMPOSITIONS DESIGNER MOLECULES INC (US) 2023-05-11 US disclosed
US-20230095931-A1 UV-CURABLE RESIN COMPOSITIONS SUITABLE FOR REDISTRIBUTION LAYERS DESIGNER MOLECULES INC (US) 2023-03-30 US disclosed
US-20220213267-A1 EXTREME HIGH TEMPERATURE STABLE ADHESIVES AND COATINGS DESIGNER MOLECULES, INC 2022-07-07 US disclosed
US-20220204696-A1 PHENOLIC FUNCTIONALIZED POLYIMIDES AND COMPOSITIONS THEREOF DESIGNER MOLECULES, INC 2022-06-30 US disclosed
US-20220204766-A1 HIGH MOLECULAR WEIGHT FLEXIBLE CURABLE POLYIMIDES DESIGNER MOLECULES, INC 2022-06-30 US disclosed
US-20210301133-A1 CURABLE POLYIMIDES DESIGNER MOLECULES INC (US) 2021-09-30 US disclosed
WO-2021113415-A1 LOW DK COPPER CLAD LAMINATE COMPOSITIONS DESIGNER MOLECULES, INC (US) 2021-06-10 WO disclosed
WO-2020215025-A1 EXTREME HIGH TEMPERATURE STABLE ADHESIVES AND COATINGS DESIGNER MOLECULES, INC (US) 2020-10-22 WO disclosed
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2020-02-27 US disclosed
US-20180256517-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2018-09-13 US disclosed
US-20090023765-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-22 US disclosed
US-20090018207-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-15 US disclosed
US-7456317-B2 Deuterated venlafaxine derivatives; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters; for intravenous administration; tablet/capsule form AUSPEX PHARMACEUTICALS (US) 2008-11-25 US disclosed
US-20080103189-A1 PREPARATION AND UTILITY OF SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2008-05-01 US disclosed
US-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-20070149622-A1 Deuterated venlafaxine derivatives formed by decyclization with formic acid; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters AUSPEX PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-04-12 US disclosed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US disclosed
WO-2005049582-A1 METHOD OF PREPARATION OF NOVEL NUCLEOSIDE ANALOGS AND USES AUSPEX PHARMACEUTICALS, INC. (US) 2005-06-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180256517-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 SMN1; SMN2 385/4885TSHR 847/4885RAB9A 1145/4885
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 SMN1; SMN2 385/4885TSHR 847/4885RAB9A 1145/4885
US-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 SMN1; SMN2 307/4885TSHR 677/4885RAB9A 1475/4885
US-20080103189-A1 PREPARATION AND UTILITY OF SUBSTITUTED INDOLES IDO1, TPH1, IDO2 SMN1; SMN2 2874/4885TSHR 1484/4885RAB9A 992/4885
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties ATP4A, ATP6V1G1, ATP6V1E1 SMN1; SMN2 4773/4885TSHR 3119/4885RAB9A 784/4885
US-20090018207-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 SMN1; SMN2 385/4885TSHR 847/4885RAB9A 1145/4885
US-20070149622-A1 Deuterated venlafaxine derivatives formed by decyclization with formic acid; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters SLC6A4, HTR4, OPRK1 SMN1; SMN2 817/4885TSHR 1585/4885RAB9A 1356/4885
US-20090023765-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 SMN1; SMN2 385/4885TSHR 847/4885RAB9A 1145/4885
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties SLC6A4, HTR4, HTR5A SMN1; SMN2 613/4885TSHR 1144/4885RAB9A 1370/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 SMN1; SMN2 4543/4885TSHR 3358/4885RAB9A 1188/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.