SCHEMBL5033807

SCHEMBL5033807

Cc1cc(-c2cncnc2)sc1-c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
APP P05067 4/20 0.36
MAPT P10636 5/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL5029508 0.83 ESR1 (0.56) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL5033803 0.81 ESR1 (0.48) ESR1ESR2ADORA1
SCHEMBL5033855 0.77 LMNA (0.44) ESR1ESR2HSD17B1HSD17B2GAA
SCHEMBL15443961 0.72 ADORA1 (0.35) ESR1ESR2HSD17B1HSD17B2ADORA1
SCHEMBL5032069 0.72 KDM4E (0.46) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL5033805 0.72 ESR1 (0.43) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL5032077 0.71 ESR1 (0.42) ESR1ESR2HSD17B1HSD17B2ADORA1
SCHEMBL17060261 0.70 CYP2A6 (0.57) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL12361198 0.70 ESR1 (0.71) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL8232610 0.69 ADORA1 (0.33) ESR1ESR2ADORA1BACE1CYP2A6

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US claimed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
EP-2184994-B1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-09-25 EP disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US disclosed
US-8435996-B2 Heterocycle-aryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-05-07 US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 US disclosed
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (3 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-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS ESR1 1163/4885ESR2 664/4885HSD17B1 931/4885
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 ESR1 2368/4885ESR2 3387/4885HSD17B1 2143/4885
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS ESR1 1163/4885ESR2 664/4885HSD17B1 931/4885

“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.