SCHEMBL16020558

SCHEMBL16020558

CCc1nnsc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.50
▸ ORAI1 Q96D31 4/20 0.50
▸ ABCC8 Q09428 12/20 0.41
▸ KCNJ11 Q14654 12/20 0.41
▸ ORAI2 Q96SN7 1/20 0.40
▸ POLQ O75417 1/20 0.39
▸ SCN9A Q15858 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
▸ KDR P35968 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
SCHEMBL14881315 0.90 STIM1 (0.49) STIM1ORAI1ABCC8KCNJ11ORAI2
SCHEMBL16019784 0.89 ABCC8 (0.42) STIM1ORAI1ABCC8KCNJ11SCN9A
SCHEMBL16020555 0.87 STIM1 (0.49) STIM1ORAI1ABCC8KCNJ11ORAI2
SCHEMBL16018162 0.85 STIM1 (0.52) STIM1ORAI1ORAI2POLQSCN9A
SCHEMBL14885669 0.81 STIM1 (0.50) STIM1ORAI1ORAI2
SCHEMBL16020574 0.80 STIM1 (0.49) STIM1ORAI1ORAI2POLQSCN9A
SCHEMBL16572599 0.79 STIM1 (0.49) STIM1ORAI1ORAI2POLQ
SCHEMBL16020565 0.79 STIM1 (0.57) STIM1ORAI1ABCC8KCNJ11ORAI2
SCHEMBL16018168 0.79 STIM1 (0.51) STIM1ORAI1ORAI2POLQSCN9A
SCHEMBL16018215 0.78 STIM1 (0.51) STIM1ORAI1ORAI2POLQSCN9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ABCC8 1186/4885

“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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