SCHEMBL440892

SCHEMBL440892

Fc1cccc(F)c1CNc1ccc(-c2cc(-c3ncco3)ccc2Cl)cn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 7/20 0.61
ORAI1 Q96D31 7/20 0.61
IL2 P60568 1/20 0.40
CDK9 P50750 4/20 0.36
CNR2 P34972 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
TRPM4 Q8TD43 1/20 0.36
CCNT1 O60563 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ABL1 P00519 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 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
SCHEMBL2816823 0.81 IL2 (0.56) STIM1ORAI1IL2ABL1
SCHEMBL450945 0.80 STIM1 (0.61) STIM1ORAI1CDK9CNR2TRPM4
Hydrochloric Acid SCHEMBL449732 0.79 STIM1 (0.60) STIM1ORAI1CDK9CNR2TRPM4
SCHEMBL14225896 0.77 STIM1 (0.66) STIM1ORAI1CDK9CNR2CCNT1
SCHEMBL14150250 0.76 STIM1 (0.77) STIM1ORAI1CDK9CNR2CCNT1
SCHEMBL14150230 0.76 STIM1 (1.00) STIM1ORAI1CDK9CNR2CCNT1
SCHEMBL4767793 0.72 IL2 (0.61) STIM1ORAI1IL2ABL1GAA
SCHEMBL2816478 0.71 MAP4K4 (0.43) IL2CNR2TRPM4
SCHEMBL5029395 0.69 RAB9A (0.43) IL2GAA
SCHEMBL5029392 0.69 RAB9A (0.43) IL2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US claimed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP claimed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO claimed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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 (1 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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP STIM1 298/4885ORAI1 1633/4885IL2 24/4885

“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.