SCHEMBL16019778

SCHEMBL16019778

Cc1scnc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 10/20 0.49
▸ GRM4 Q14833 5/20 0.48
▸ NAMPT P43490 1/20 0.44
▸ STIM1 Q13586 3/20 0.44
▸ ORAI1 Q96D31 3/20 0.44
▸ ORAI2 Q96SN7 1/20 0.44
▸ KIT P10721 3/20 0.43
▸ BRAF P15056 3/20 0.43
▸ POLQ O75417 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL14887767 0.90 NAMPT (0.46) GRM1GRM4NAMPTSTIM1ORAI1
SCHEMBL16020544 0.89 STIM1 (0.50) GRM1GRM4NAMPTSTIM1ORAI1
SCHEMBL16019781 0.84 KDM4E (0.58) GRM1GRM4NAMPTSTIM1ORAI1
SCHEMBL14887335 0.82 BACE1 (0.42) STIM1ORAI1ORAI2KDM4ENPC1
SCHEMBL14887346 0.82 SMN1; SMN2 (0.44) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14885640 0.81 STIM1 (0.64) GRM1GRM4NAMPTSTIM1ORAI1
SCHEMBL16019798 0.81 DGAT1 (0.46) STIM1ORAI1ORAI2
SCHEMBL16019776 0.80 ALDH1A1 (0.56) STIM1ORAI1ORAI2KDM4ENPC1
SCHEMBL16017234 0.78 HSD17B10 (0.50) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16020546 0.78 STIM1 (0.52) GRM1GRM4NAMPTSTIM1ORAI1

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRM1 1425/4885GRM4 1253/4885NAMPT 2538/4885

“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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