SCHEMBL13640688

SCHEMBL13640688

Cc1cccc(C)c1C(=O)Nc1ccc(-c2cc(-c3ccno3)sc2C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 5/20 0.42
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
ORAI2 Q96SN7 1/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABL1 P00519 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 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
SCHEMBL5030860 0.94 IL2 (0.48) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5030853 0.91 IL2 (0.50) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5030830 0.87 IL2 (0.42) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5029752 0.87 IL2 (0.41) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5436399 0.85 ABCB1 (0.39) IL2NPC1RAB9AALOX15ABL1
SCHEMBL5029737 0.83 STIM1 (0.48) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL14360779 0.83 NPC1 (0.34) IL2NPC1RAB9APOLBABL1
SCHEMBL5027253 0.82 IL2 (0.45) IL2STIM1ORAI1NPC1RAB9A
SCHEMBL14361064 0.82 NPC1 (0.38) IL2NPC1RAB9AALDH1A1POLB
SCHEMBL14360759 0.82 LMNA (0.39) ORAI1NPC1RAB9AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 US disclosed
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 US 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-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885STIM1 924/4885ORAI1 729/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885STIM1 924/4885ORAI1 729/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 IL2 23/4885STIM1 934/4885ORAI1 1269/4885

“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.