SCHEMBL15528104

SCHEMBL15528104

Cn1nc(-c2cnc(C3CC3)c(-c3cnc(NC(=O)c4c(F)cccc4Cl)cn3)c2)oc1=O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 15/20 0.66
▸ STIM1 Q13586 2/20 0.45
▸ ORAI1 Q96D31 2/20 0.45
▸ ORAI2 Q96SN7 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTR1F P30939 1/20 0.40
▸ P2RX7 Q99572 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
SCHEMBL16650416 0.95 IL2 (0.72) IL2STIM1ORAI1ORAI2TNF
SCHEMBL15528375 0.86 IL2 (0.63) IL2STIM1ORAI1TNFHTR1F
SCHEMBL15528326 0.86 IL2 (0.68) IL2STIM1ORAI1ORAI2TNF
SCHEMBL2732206 0.85 IL2 (0.73) IL2STIM1ORAI1ORAI2TNF
SCHEMBL15528158 0.84 IL2 (0.59) IL2STIM1ORAI1TNF
SCHEMBL15528127 0.84 IL2 (0.82) IL2STIM1ORAI1ORAI2TNF
SCHEMBL15528410 0.82 IL2 (0.76) IL2STIM1ORAI1ORAI2TNF
SCHEMBL15528662 0.82 IL2 (0.69) IL2STIM1ORAI1TNF
SCHEMBL2731249 0.81 IL2 (0.87) IL2STIM1ORAI1ORAI2TNF
SCHEMBL15528433 0.81 IL2 (0.75) IL2STIM1ORAI1ORAI2TNF

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 9 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-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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