SCHEMBL16018184

SCHEMBL16018184

Cc1nc(C)c(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.52
▸ ORAI1 Q96D31 3/20 0.52
▸ ORAI2 Q96SN7 1/20 0.52
▸ RAB9A P51151 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ IL2 P60568 9/20 0.36
▸ F10 P00742 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLQ O75417 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
SCHEMBL16018167 0.90 STIM1 (0.62) STIM1ORAI1ORAI2RAB9ARECQL
SCHEMBL16020535 0.88 STIM1 (0.49) STIM1ORAI1ORAI2SMN1; SMN2IL2
SCHEMBL16018234 0.86 STIM1 (0.51) STIM1ORAI1ORAI2NPC1SMN1; SMN2
SCHEMBL16018168 0.86 STIM1 (0.51) STIM1ORAI1ORAI2RAB9ARECQL
SCHEMBL16018169 0.82 STIM1 (0.53) STIM1ORAI1ORAI2RAB9ARECQL
SCHEMBL16018178 0.81 STIM1 (0.52) STIM1ORAI1ORAI2IL2POLQ
SCHEMBL16020560 0.80 STIM1 (0.53) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL16572267 0.80 STIM1 (0.57) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL12155639 0.80 STIM1 (0.60) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL14881320 0.80 STIM1 (0.57) STIM1ORAI1ORAI2RAB9ANPC1

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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