SCHEMBL422304

SCHEMBL422304

Cc1csc2c(C)ncnc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 5/20 0.50
PDPK1 O15530 1/20 0.47
CHRM4 P08173 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 7/20 0.39
RAB9A P51151 1/20 0.39
LPAR2 Q9HBW0 5/20 0.35
NOD2 Q9HC29 1/20 0.34
LPAR1 Q92633 2/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL438101 0.81 MAPK1 (0.53) NPC1PKMMAPK1PDPK1ALDH1A1
SCHEMBL18098806 0.79 NPC1 (0.50) NPC1PKMMAPK1PDPK1ALDH1A1
SCHEMBL29722953 0.79 NPC1 (0.50) NPC1PKMMAPK1PDPK1ALDH1A1
SCHEMBL1868539 0.79 NPC1 (0.50) NPC1PKMMAPK1PDPK1ALDH1A1
SCHEMBL358216 0.79 NPC1 (0.50) NPC1PKMMAPK1PDPK1ALDH1A1
SCHEMBL24473511 0.79 MAPK1 (0.51) NPC1PKMMAPK1PDPK1ALDH1A1
Hydrochloric Acid SCHEMBL31220462 0.78 NPC1 (0.49) NPC1PKMMAPK1PDPK1ALDH1A1
SCHEMBL9930640 0.77 PKM (0.38) NPC1PKMMAPK1PDPK1CHRM4
SCHEMBL12125904 0.76 NPC1 (0.47) NPC1PKMMAPK1PDPK1ALDH1A1
SCHEMBL13920413 0.76 NPC1 (0.47) NPC1PKMMAPK1PDPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
EP-3674303-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Gwangju Institute of Science and Technology (KR) 2020-07-01 EP disclosed
WO-2019039905-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 광주과학기술원 2019-02-28 WO disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
EP-2074115-B1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2018-03-07 EP disclosed
US-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
EP-2407451-A1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors Otsuka Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 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 (5 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-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 701/4885PKM 1767/4885MAPK1 520/4885
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS ITGB6, ITGA5, ITGAV NPC1 2436/4885PKM 4294/4885MAPK1 2553/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 NPC1 701/4885PKM 1767/4885MAPK1 520/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 701/4885PKM 1767/4885MAPK1 520/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NPC1 630/4885PKM 4149/4885MAPK1 3951/4885

“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.