SCHEMBL438956

SCHEMBL438956

Cc1cccc(F)c1C(=O)Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.50
ORAI1 Q96D31 1/20 0.50
ORAI2 Q96SN7 1/20 0.50
IL2 P60568 9/20 0.48
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ABL1 P00519 1/20 0.40
VCP P55072 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2813073 0.93 IL2 (0.47) STIM1ORAI1ORAI2IL2L3MBTL1
SCHEMBL438987 0.92 L3MBTL1 (0.45) STIM1ORAI1ORAI2IL2L3MBTL1
SCHEMBL2817899 0.88 IL2 (0.61) IL2ABL1
SCHEMBL449981 0.88 IL2 (0.46) STIM1ORAI1ORAI2IL2RAB9A
SCHEMBL437873 0.85 SMN1; SMN2 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL4767857 0.82 IL2 (0.61) IL2RAB9AABL1VCP
SCHEMBL437850 0.80 NPC1 (0.43) STIM1ORAI1IL2RAB9ANPC1
SCHEMBL2815050 0.80 ABCB1 (0.42) IL2L3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL451402 0.80 NTRK1 (0.38) L3MBTL1RAB9ANPC1ALDH1A1PKM
SCHEMBL440417 0.79 NAMPT (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2PKM

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 2 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 disclosed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 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 1633/4885ORAI2 1302/4885

“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.