SCHEMBL15528278

SCHEMBL15528278

CCc1ncc(-c2nn(C)c(=O)o2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 8/20 0.47
▸ IL2 P60568 5/20 0.47
▸ S1PR2 O95136 3/20 0.43
▸ TNF P01375 1/20 0.42
▸ STIM1 Q13586 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL15528213 0.86 IL2 (0.52) IL2TNFSTIM1ORAI1ALDH1A1
SCHEMBL15528262 0.85 S1PR4 (0.46) S1PR4IL2S1PR2TNFSTIM1
SCHEMBL15528046 0.84 IL2 (0.46) S1PR4IL2TNFSTIM1ORAI1
SCHEMBL15528184 0.84 STIM1 (0.48) IL2TNFSTIM1ORAI1
SCHEMBL15528154 0.79 IL2 (0.65) IL2TNFSTIM1ORAI1
SCHEMBL16650120 0.79 IL2 (0.71) IL2TNFSTIM1ORAI1
SCHEMBL15528398 0.77 IL2 (0.61) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL15528438 0.77 IL2 (0.75) IL2TNFSTIM1ORAI1
SCHEMBL16650729 0.77 IL2 (0.65) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL16650474 0.77 IL2 (0.69) IL2TNFSTIM1ORAI1KDM4E

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-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-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
EP-2844655-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 — — EP disclosed
WO-2013164769-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 — — WO 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 S1PR4 755/4885IL2 2982/4885S1PR2 479/4885
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 S1PR4 755/4885IL2 2982/4885S1PR2 479/4885

“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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