SCHEMBL13640641

SCHEMBL13640641

Cc1cccc(F)c1C(=O)Nc1ccc(-c2cc(-c3ccoc3)sc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 14/20 0.44
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
TNF P01375 1/20 0.41
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 1/20 0.39
PLK4 O00444 2/20 0.37
AURKA O14965 2/20 0.37
ROCK2 O75116 2/20 0.37
RPS6KA5 O75582 2/20 0.37
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
ABL1 P00519 2/20 0.37
NTRK1 P04629 2/20 0.37
INSR P06213 2/20 0.37
LCK P06239 2/20 0.37
FYN P06241 2/20 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
SCHEMBL5030878 0.95 IL2 (0.46) IL2STIM1ORAI1TNFMEN1
SCHEMBL13640610 0.84 IL2 (0.44) IL2STIM1ORAI1TNFITGB1
SCHEMBL13640609 0.82 IL2 (0.57) IL2STIM1ORAI1TNFITGB1
SCHEMBL13640659 0.80 IL2 (0.51) IL2STIM1ORAI1TNFORAI2
SCHEMBL13640608 0.79 IL2 (0.46) IL2STIM1ORAI1TNFITGB1
SCHEMBL5033797 0.79 IL2 (0.46) IL2STIM1ORAI1TNFMEN1
SCHEMBL8232863 0.78 IL2 (0.44) IL2STIM1ORAI1TNFITGB1
SCHEMBL2889160 0.77 JAK2 (0.50) IL2STIM1ORAI1TNFMEN1
SCHEMBL2894859 0.77 LMNA (0.55) IL2STIM1ORAI1TNFMEN1
SCHEMBL5029489 0.77 IL2 (0.60) IL2STIM1ORAI1TNFMEN1

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.