SCHEMBL15528398

SCHEMBL15528398

CCc1ncc(-c2nn(C)c(=O)o2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 14/20 0.61
▸ TNF P01375 1/20 0.56
▸ STIM1 Q13586 1/20 0.56
▸ ORAI1 Q96D31 1/20 0.56
▸ CRACR2A Q9BSW2 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ PRKCG P05129 1/20 0.37
▸ LCK P06239 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
SCHEMBL16650120 0.91 IL2 (0.71) IL2TNFSTIM1ORAI1
SCHEMBL15528438 0.88 IL2 (0.75) IL2TNFSTIM1ORAI1
SCHEMBL16650729 0.88 IL2 (0.65) IL2TNFSTIM1ORAI1NPC1
SCHEMBL15528177 0.87 IL2 (0.66) IL2TNFSTIM1ORAI1
SCHEMBL15528281 0.87 IL2 (0.61) IL2TNFSTIM1ORAI1NPC1
SCHEMBL15527993 0.87 IL2 (0.61) IL2TNFSTIM1ORAI1CRACR2A
SCHEMBL16650474 0.86 IL2 (0.69) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL15528635 0.86 IL2 (0.70) IL2TNFSTIM1ORAI1
SCHEMBL15528154 0.85 IL2 (0.65) IL2TNFSTIM1ORAI1
SCHEMBL15528158 0.85 IL2 (0.59) IL2TNFSTIM1ORAI1CRACR2A

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 13 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-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 2982/4885TNF 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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