SCHEMBL429363

SCHEMBL429363

Cc1cccc(Nc2nc3c(N4CCOCC4)nc(Oc4ccc(F)cc4)nc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
CHEK1 O14757 3/20 0.44
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.41
SRC P12931 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GBA1 P04062 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
SMG1 Q96Q15 1/20 0.39
PIK3CG P48736 2/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL3330743 0.94 MAPT (0.47) MAPTPOLBTP53CHEK1ALDH1A1
SCHEMBL3322164 0.92 MAPT (0.46) MAPTPOLBTP53CHEK1ALDH1A1
SCHEMBL14412728 0.92 LMNA (0.44) MAPTPOLBCHEK1ALDH1A1SMN1; SMN2
SCHEMBL14618257 0.91 MAPT (0.45) MAPTPOLBTP53CHEK1ALDH1A1
SCHEMBL429673 0.89 ALDH1A1 (0.48) MAPTPOLBTP53CHEK1ALDH1A1
SCHEMBL16844679 0.83 CHEK1 (0.55) MAPTPOLBTP53CHEK1ALDH1A1
SCHEMBL3326864 0.82 MAPT (0.61) MAPTPOLBTP53CHEK1ALDH1A1
SCHEMBL3326035 0.81 MAPT (0.52) MAPTPOLBTP53CHEK1ALDH1A1
SCHEMBL425747 0.81 MAPT (0.52) MAPTPOLBTP53CHEK1ALDH1A1
SCHEMBL14412729 0.80 NPSR1 (0.43) TP53ALDH1A1SMN1; SMN2PDE10AKDM4E

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 25 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-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
EP-1626725-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS Synta Pharmaceuticals Corporation (US) 2006-02-22 EP disclosed
WO-2005000404-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS, CORP. (US) 2005-01-06 WO 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 (6 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 MAPT 238/4885POLB 2582/4885TP53 1256/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885POLB 3380/4885TP53 4162/4885
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 MAPT 2327/4885POLB 1077/4885TP53 4277/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 MAPT 1747/4885POLB 1968/4885TP53 50/4885
US-20070027151-A1 Heterocyclic compounds NRAS, OXER1, HCRTR2 MAPT 4633/4885POLB 2703/4885TP53 1417/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPT 4316/4885POLB 3380/4885TP53 4162/4885

“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.