SCHEMBL425747

SCHEMBL425747

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
TP53 P04637 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CHEK1 O14757 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SRC P12931 1/20 0.46
GBA1 P04062 1/20 0.44
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
SMG1 Q96Q15 1/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43

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
SCHEMBL14413078 0.90 LMNA (0.51) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL3326864 0.88 MAPT (0.61) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL3326035 0.88 MAPT (0.52) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL14618257 0.85 MAPT (0.45) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL14110674 0.83 MAPT (0.44) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL426750 0.83 CHEK1 (0.55) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL427561 0.83 GBA1 (0.49) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL16844679 0.83 CHEK1 (0.55) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL3330743 0.83 MAPT (0.47) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL5720652 0.83 MAPT (0.45) MAPTTP53POLBALDH1A1SMN1; SMN2

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-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-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-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-1556140-A4 NOVEL COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2006-04-19 EP disclosed
EP-1556140-A2 NOVEL COMPOUNDS Synta Pharmaceuticals Corporation (US) 2005-07-27 EP 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
WO-2004035740-A2 AROMATIC BICYCLIC HETEROCYLES TO MODULATE 1L - 12 PRODUCTION SYNTA PHARMACEUTICALS CORP. (US) 2004-04-29 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 (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 238/4885TP53 1256/4885POLB 2582/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885TP53 4162/4885POLB 3380/4885
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 2327/4885TP53 4277/4885POLB 1077/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 MAPT 1747/4885TP53 50/4885POLB 1968/4885
US-20070027151-A1 Heterocyclic compounds NRAS, OXER1, HCRTR2 MAPT 4633/4885TP53 1417/4885POLB 2703/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPT 4316/4885TP53 4162/4885POLB 3380/4885

“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.