SCHEMBL16018168

SCHEMBL16018168

Cc1nc(C)c(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.51
▸ ORAI1 Q96D31 5/20 0.51
▸ RAB9A P51151 3/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ORAI2 Q96SN7 1/20 0.42
▸ POLQ O75417 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ PKM P14618 1/20 0.38
▸ ABL1 P00519 4/20 0.38
▸ F10 P00742 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ IL2 P60568 1/20 0.38
▸ KIT P10721 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ AKT1 P31749 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
SCHEMBL16018139 0.90 STIM1 (0.49) STIM1ORAI1RAB9ARECQLNPC1
SCHEMBL16017275 0.88 RAB9A (0.53) STIM1ORAI1RAB9ARECQLNPC1
SCHEMBL14885675 0.88 MEN1 (0.50) STIM1ORAI1NPC1SMN1; SMN2ORAI2
SCHEMBL16018184 0.86 STIM1 (0.52) STIM1ORAI1RAB9ARECQLNPC1
SCHEMBL16018189 0.82 STIM1 (0.52) STIM1ORAI1RAB9ARECQLNPC1
SCHEMBL12155538 0.81 STIM1 (0.57) STIM1ORAI1RAB9ANPC1TP53
SCHEMBL12241544 0.81 STIM1 (0.54) STIM1ORAI1RAB9ANPC1TP53
SCHEMBL16018162 0.81 STIM1 (0.52) STIM1ORAI1RAB9ANPC1ORAI2
SCHEMBL14885688 0.80 STIM1 (0.52) STIM1ORAI1RAB9ANPC1TP53
SCHEMBL12155518 0.80 STIM1 (0.56) STIM1ORAI1RAB9ANPC1TP53

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 1/4885RAB9A 1174/4885

“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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