SCHEMBL450945

SCHEMBL450945

Fc1cccc(F)c1CNc1ccc(-c2cc(-c3nccs3)ccc2Cl)cn1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 6/20 0.61
ORAI1 Q96D31 6/20 0.61
CASP6 P55212 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CDK9 P50750 3/20 0.37
KLKB1 P03952 1/20 0.37
CNR2 P34972 1/20 0.36
VCP P55072 1/20 0.36
MET P08581 1/20 0.36
CHEK2 O96017 1/20 0.35
PORCN Q9H237 1/20 0.35
CCNT1 O60563 1/20 0.35
TRPM4 Q8TD43 1/20 0.35
ADRB2 P07550 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
Hydrochloric Acid SCHEMBL449732 0.99 STIM1 (0.60) STIM1ORAI1CASP6PTGDR2CDK9
SCHEMBL449057 0.82 STIM1 (0.41) STIM1ORAI1CASP6PTGDR2KLKB1
SCHEMBL2813073 0.81 IL2 (0.47) STIM1ORAI1VCP
SCHEMBL440892 0.80 STIM1 (0.61) STIM1ORAI1CDK9CNR2CCNT1
SCHEMBL438987 0.79 L3MBTL1 (0.45) STIM1ORAI1VCP
SCHEMBL437873 0.78 SMN1; SMN2 (0.55) VCPTRPM4
SCHEMBL438956 0.77 STIM1 (0.50) STIM1ORAI1VCP
SCHEMBL14150230 0.76 STIM1 (1.00) STIM1ORAI1CDK9CNR2CCNT1
SCHEMBL449981 0.76 IL2 (0.46) STIM1ORAI1VCP
SCHEMBL14150250 0.74 STIM1 (0.77) STIM1ORAI1CDK9CNR2CCNT1

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-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 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
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 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

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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP STIM1 298/4885ORAI1 1633/4885CASP6 666/4885
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 STIM1 4737/4885ORAI1 4715/4885CASP6 1874/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 STIM1 4737/4885ORAI1 4715/4885CASP6 1874/4885

“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.