SCHEMBL14225905

SCHEMBL14225905

Cn1nc(-c2ccccc2)cc1-c1ccc(NCc2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.50
▸ ORAI1 Q96D31 1/20 0.50
▸ GAA P10253 2/20 0.46
▸ NMT1 P30419 1/20 0.46
▸ JAK2 O60674 2/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PHGDH O43175 1/20 0.43

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
SCHEMBL12156010 0.76 DEGS1 (0.52) STIM1ORAI1KDM4ESMN1; SMN2MEN1
SCHEMBL822565 0.73 ALDH1A1 (0.53) ALDH1A1MAPTKMT2APHGDHPOLB
SCHEMBL12241395 0.73 GRM5 (0.53) KDM4ETP53SMN1; SMN2MEN1KMT2A
SCHEMBL12156006 0.73 ADORA3 (0.53) TP53SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL12156008 0.72 STIM1 (0.66) STIM1ORAI1GAAALDH1A1HSD17B10
SCHEMBL12156018 0.72 STIM1 (0.53) STIM1ORAI1GAAALDH1A1HSD17B10
SCHEMBL12156004 0.72 SMN1; SMN2 (0.52) STIM1ORAI1GAAALDH1A1TP53
SCHEMBL12156016 0.72 GRM5 (0.46) STIM1ORAI1JAK2MAPTPOLB
SCHEMBL12241397 0.71 GRM5 (0.54) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL14225909 0.71 STIM1 (0.62) STIM1ORAI1ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 — — US disclosed
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 — — US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — 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 (4 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-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885

“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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