SCHEMBL16018171

SCHEMBL16018171

Cc1snc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.62
▸ ORAI1 Q96D31 5/20 0.62
▸ ORAI2 Q96SN7 1/20 0.62
▸ IL2 P60568 9/20 0.35
▸ POLQ O75417 1/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16018180 0.92 STIM1 (0.55) STIM1ORAI1ORAI2IL2POLQ
SCHEMBL16018140 0.86 STIM1 (0.49) STIM1ORAI1ORAI2POLQNPC1
SCHEMBL14885640 0.85 STIM1 (0.64) STIM1ORAI1ORAI2IL2
SCHEMBL14885567 0.83 STIM1 (0.66) STIM1ORAI1ORAI2IL2POLQ
SCHEMBL14885577 0.82 STIM1 (0.62) STIM1ORAI1ORAI2IL2POLQ
SCHEMBL14881328 0.82 STIM1 (0.62) STIM1ORAI1ORAI2IL2POLQ
SCHEMBL12241452 0.81 STIM1 (0.66) STIM1ORAI1ORAI2IL2POLQ
SCHEMBL12156042 0.80 STIM1 (0.62) STIM1ORAI1ORAI2IL2KDM4E
SCHEMBL16018173 0.80 STIM1 (0.49) STIM1ORAI1ORAI2IL2POLQ
SCHEMBL14881319 0.80 STIM1 (0.60) STIM1ORAI1ORAI2NPC1RAB9A

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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