SCHEMBL16636906

SCHEMBL16636906

CCc1nn(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)ccc(F)c2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL2 P60568 11/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
RET P07949 1/20 0.33
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
BRAF P15056 6/20 0.32

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
SCHEMBL16636946 0.92 IL2 (0.46) IL2STIM1ORAI1ORAI2SCN5A
SCHEMBL16636932 0.89 SCN9A (0.36) IL2SCN5ASCN9ABRAF
SCHEMBL16636432 0.89 IL2 (0.39) IL2STIM1ORAI1ORAI2SCN5A
SCHEMBL16636766 0.89 STIM1 (0.40) IL2STIM1ORAI1ORAI2SCN9A
SCHEMBL16636870 0.88 IL2 (0.37) IL2STIM1ORAI1ORAI2SCN5A
SCHEMBL16636954 0.84 MEN1 (0.37) IL2STIM1ORAI1BRAF
SCHEMBL16637357 0.84 IL2 (0.35) IL2STIM1ORAI1ORAI2BRAF
SCHEMBL16636678 0.83 IL2 (0.42) IL2STIM1ORAI1ORAI2SCN9A
SCHEMBL16636507 0.82 CYP1A2 (0.38) BRAF
SCHEMBL16636740 0.82 NPC1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 1/4885

“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.