SCHEMBL15528635

SCHEMBL15528635

CCc1ncc(-c2nn(C)c(=O)o2)cc1-c1ccc(NC(=O)c2c(C)cccc2F)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 16/20 0.70
▸ STIM1 Q13586 2/20 0.62
▸ ORAI1 Q96D31 2/20 0.62
▸ TNF P01375 1/20 0.62
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.37
▸ IDO1 P14902 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
SCHEMBL16650120 0.95 IL2 (0.71) IL2STIM1ORAI1TNF
SCHEMBL16650474 0.92 IL2 (0.69) IL2STIM1ORAI1TNF
SCHEMBL16650729 0.89 IL2 (0.65) IL2STIM1ORAI1TNF
SCHEMBL15528177 0.88 IL2 (0.66) IL2STIM1ORAI1TNF
SCHEMBL15528065 0.88 IL2 (0.61) IL2STIM1ORAI1TNF
SCHEMBL2731521 0.88 IL2 (0.77) IL2STIM1ORAI1TNFITGB1
SCHEMBL15528290 0.88 IL2 (0.71) IL2STIM1ORAI1TNFORAI2
SCHEMBL15528154 0.86 IL2 (0.65) IL2STIM1ORAI1TNF
SCHEMBL15528013 0.86 IL2 (0.79) IL2STIM1ORAI1TNFIDO1
SCHEMBL15528398 0.86 IL2 (0.61) IL2STIM1ORAI1TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 — — US claimed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 — — US claimed
US-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 — — US claimed
EP-2844655-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 — — EP claimed
WO-2013164769-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 — — WO claimed
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 — — US disclosed
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 — — US disclosed
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 — — US disclosed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 — — US disclosed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 — — US disclosed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 — — US disclosed
US-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 — — US disclosed
US-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 — — US disclosed
US-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 — — 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 (2 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-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 IL2 2982/4885STIM1 29/4885ORAI1 1/4885
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 IL2 2982/4885STIM1 29/4885ORAI1 1/4885

“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.

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