SCHEMBL16650729

SCHEMBL16650729

CCc1ncc(-c2nn(C)c(=O)o2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 14/20 0.65
▸ TNF P01375 1/20 0.57
▸ STIM1 Q13586 1/20 0.57
▸ ORAI1 Q96D31 1/20 0.57
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TRPA1 O75762 1/20 0.36

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 0.90 IL2 (0.71) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL15528261 0.89 IL2 (0.64) IL2TNFSTIM1ORAI1NPC1
SCHEMBL15528635 0.89 IL2 (0.70) IL2TNFSTIM1ORAI1
SCHEMBL15528398 0.88 IL2 (0.61) IL2TNFSTIM1ORAI1CYP1A2
SCHEMBL15528240 0.88 IL2 (0.66) IL2TNFSTIM1ORAI1CYP1A2
SCHEMBL15528583 0.88 IL2 (0.66) IL2TNFSTIM1ORAI1TP53
SCHEMBL15528177 0.86 IL2 (0.66) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL16650193 0.85 IL2 (0.63) IL2TNFSTIM1ORAI1NPC1
SCHEMBL15527940 0.85 IL2 (0.69) IL2TNFSTIM1ORAI1CYP1A2
SCHEMBL16650474 0.85 IL2 (0.69) IL2TNFSTIM1ORAI1CYP1A2

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 12 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
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 2982/4885TNF 2731/4885STIM1 29/4885
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 IL2 2982/4885TNF 2731/4885STIM1 29/4885

“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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