SCHEMBL14885577

SCHEMBL14885577

Cc1nc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c(C)o1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.62
▸ ORAI1 Q96D31 4/20 0.62
▸ ORAI2 Q96SN7 1/20 0.62
▸ SSTR2 P30874 1/20 0.37
▸ IL2 P60568 6/20 0.35
▸ BACE1 P56817 5/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ POLQ O75417 1/20 0.33

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
SCHEMBL14885578 0.90 STIM1 (0.52) STIM1ORAI1ORAI2SSTR2IL2
SCHEMBL16020570 0.89 STIM1 (0.59) STIM1ORAI1ORAI2IL2BACE1
SCHEMBL16018174 0.87 STIM1 (0.64) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL14885575 0.86 STIM1 (0.49) STIM1ORAI1ORAI2SSTR2BACE1
SCHEMBL14885567 0.85 STIM1 (0.66) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL14881328 0.84 STIM1 (0.62) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL14885640 0.83 STIM1 (0.64) STIM1ORAI1ORAI2IL2BRAF
SCHEMBL16020559 0.83 STIM1 (0.64) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL16018171 0.82 STIM1 (0.62) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL14881293 0.81 STIM1 (0.64) STIM1ORAI1ORAI2IL2NPC1

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 4 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
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — US disclosed
WO-2013059677-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — WO 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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