SCHEMBL16018167

SCHEMBL16018167

Cc1nc(C)c(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.62
▸ ORAI1 Q96D31 4/20 0.62
▸ ORAI2 Q96SN7 1/20 0.62
▸ F10 P00742 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KMT2A Q03164 4/20 0.36
▸ IL2 P60568 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL16018184 0.90 STIM1 (0.52) STIM1ORAI1ORAI2F10RAB9A
SCHEMBL16018202 0.86 STIM1 (0.61) STIM1ORAI1ORAI2SMN1; SMN2NPC1
SCHEMBL16018139 0.86 STIM1 (0.49) STIM1ORAI1ORAI2F10RAB9A
SCHEMBL12156042 0.84 STIM1 (0.62) STIM1ORAI1ORAI2IL2KDM4E
SCHEMBL16018174 0.83 STIM1 (0.64) STIM1ORAI1ORAI2RAB9ARECQL
SCHEMBL12241452 0.83 STIM1 (0.66) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL16020559 0.81 STIM1 (0.64) STIM1ORAI1ORAI2RAB9ASMN1; SMN2
SCHEMBL14881300 0.80 STIM1 (0.68) STIM1ORAI1ORAI2RAB9ASMN1; SMN2
SCHEMBL14885577 0.80 STIM1 (0.62) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL14885662 0.80 STIM1 (0.62) STIM1ORAI1ORAI2RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — 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 (1 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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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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