SCHEMBL16018181

SCHEMBL16018181

Cc1cocc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.66
▸ ORAI1 Q96D31 4/20 0.66
▸ ORAI2 Q96SN7 1/20 0.66
▸ IL2 P60568 10/20 0.41
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ POLQ O75417 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 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
SCHEMBL16018188 0.91 STIM1 (0.54) STIM1ORAI1ORAI2IL2POLQ
SCHEMBL12155798 0.86 STIM1 (0.75) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL16018186 0.86 STIM1 (0.66) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL16018145 0.86 STIM1 (0.52) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL16020566 0.85 STIM1 (0.62) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12155799 0.84 STIM1 (0.69) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12241466 0.84 STIM1 (0.75) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL14881293 0.84 STIM1 (0.64) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12241462 0.83 STIM1 (0.77) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL16018198 0.83 STIM1 (0.70) 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 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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