SCHEMBL16018139

SCHEMBL16018139

Cc1nc(C)c(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.49
▸ ORAI1 Q96D31 4/20 0.49
▸ ORAI2 Q96SN7 1/20 0.49
▸ RAB9A P51151 5/20 0.41
▸ RECQL P46063 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ POLQ O75417 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NCOA3 Q9Y6Q9 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
SCHEMBL16018168 0.90 STIM1 (0.51) STIM1ORAI1ORAI2RAB9ARECQL
SCHEMBL14881567 0.89 STIM1 (0.46) STIM1ORAI1ORAI2RAB9ASMN1; SMN2
SCHEMBL16017203 0.88 RAB9A (0.51) STIM1ORAI1ORAI2RAB9ARECQL
SCHEMBL16018228 0.88 STIM1 (0.49) STIM1ORAI1ORAI2RAB9ASMN1; SMN2
SCHEMBL16018167 0.86 STIM1 (0.62) STIM1ORAI1ORAI2RAB9ARECQL
SCHEMBL16572599 0.84 STIM1 (0.49) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL12241416 0.83 STIM1 (0.52) STIM1ORAI1ORAI2RAB9ASMN1; SMN2
SCHEMBL12155948 0.83 RAB9A (0.56) STIM1ORAI1ORAI2RAB9AF10
SCHEMBL14881333 0.83 STIM1 (0.50) STIM1ORAI1ORAI2RAB9ARECQL
SCHEMBL12241547 0.82 RAB9A (0.55) STIM1ORAI1ORAI2RAB9AF10

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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