SCHEMBL429470

SCHEMBL429470

Cc1cccc(Nc2nc3c(N4CCOCC4)nc(NCCCc4ccccc4)nc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.49
CHEK1 O14757 2/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EGFR P00533 1/20 0.40
HTT P42858 2/20 0.39
PIK3CB P42338 2/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
OGA O60502 1/20 0.39
PLK4 O00444 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
SMG1 Q96Q15 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL13759304 0.92 GBA1 (0.46) GBA1TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL430842 0.87 GBA1 (0.65) GBA1CHEK1MAPTTP53POLB
SCHEMBL14085815 0.85 GBA1 (0.46) GBA1CHEK1MAPTTP53POLB
SCHEMBL3326864 0.85 MAPT (0.61) GBA1CHEK1MAPTTP53POLB
SCHEMBL430877 0.84 CA1 (0.53) GBA1CHEK1MAPTTP53POLB
SCHEMBL10195986 0.83 ALOX15 (0.56) GBA1CHEK1MAPTTP53POLB
SCHEMBL428798 0.80 MAPT (0.43) GBA1CHEK1MAPTTP53POLB
SCHEMBL13759366 0.80 LMNA (0.44) GBA1MAPTTP53POLBTSHR
SCHEMBL426750 0.80 CHEK1 (0.55) GBA1CHEK1MAPTTP53POLB
SCHEMBL16844679 0.80 CHEK1 (0.55) GBA1CHEK1MAPTTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS CORP. (US) 2010-05-13 US disclosed
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS CORP. (US) 2010-05-13 US disclosed
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS CORP. (US) 2010-05-13 US disclosed
US-7410990-B2 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-08-12 US disclosed
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss SYNTA PHARMACEUTICALS CORP. (US) 2008-03-06 US disclosed
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss SYNTA PHARMACEUTICALS CORP. (US) 2008-03-06 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070027151-A1 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 US disclosed
US-20070027151-A1 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 US disclosed
US-20070027151-A1 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 US disclosed
US-7122665-B2 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-17 US disclosed
US-20040198725-A1 A bi-heterocyclic compound e.g 3-methoxyphenyl)-{6-Morpholin-4-yl-2-[2-(pyridin-2-yloxy)-ethoxy]-9H-purin-8-yl}-amine or other derivatives useful for treating an interleukin-12 overproduction-related disorder such as rheumatoid arthritis, sepsis, Crohn's disease, multiple sclerosis, psoriasis or diabetes SYNTA PHARMACEUTICALS CORP. 2004-10-07 US 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 (7 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 GBA1 2127/4885CHEK1 4855/4885MAPT 238/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 GBA1 1510/4885CHEK1 4738/4885MAPT 4316/4885
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 GBA1 1046/4885CHEK1 268/4885MAPT 1747/4885
US-20040198725-A1 A bi-heterocyclic compound e.g 3-methoxyphenyl)-{6-Morpholin-4-yl-2-[2-(pyridin-2-yloxy)-ethoxy]-9H-purin-8-yl}-amine or other derivatives useful for treating an interleukin-12 overproduction-related disorder such as rheumatoid arthritis, sepsis, Crohn's disease, multiple sclerosis, psoriasis or diabetes MSR1, NGFR, NR0B1 GBA1 2888/4885CHEK1 3492/4885MAPT 2327/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 GBA1 1046/4885CHEK1 268/4885MAPT 1747/4885
US-20070027151-A1 Heterocyclic compounds NRAS, OXER1, HCRTR2 GBA1 2164/4885CHEK1 3484/4885MAPT 4633/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 GBA1 1510/4885CHEK1 4738/4885MAPT 4316/4885

“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.