SCHEMBL16636688

SCHEMBL16636688

Cc1cccc(F)c1C(=O)Nc1ccc(-c2cn(-c3nccs3)nc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL2 P60568 12/20 0.44
TNF P01375 1/20 0.44
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
TYK2 P29597 3/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA2A P29274 1/20 0.38
CYP2C19 P33261 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16636744 0.95 IL2 (0.48) IL2TNFSTIM1ORAI1TYK2
SCHEMBL16637371 0.90 IL2 (0.43) IL2TNFSTIM1ORAI1TP53
SCHEMBL16637004 0.90 IL2 (0.39) IL2TNFSTIM1ORAI1TYK2
SCHEMBL16636743 0.89 IL2 (0.44) IL2TNFSTIM1ORAI1TYK2
SCHEMBL16636680 0.89 IL2 (0.39) IL2TNFSTIM1ORAI1TYK2
SCHEMBL16636706 0.87 MEN1 (0.47) HTTTP53MAPTCYP3A4ADORA2A
SCHEMBL16637313 0.85 TP53 (0.42) IL2TNFSTIM1ORAI1TYK2
SCHEMBL16636428 0.85 IL2 (0.45) IL2TNFSTIM1ORAI1TYK2
SCHEMBL16636934 0.84 IL2 (0.47) IL2TNFSTIM1ORAI1TYK2
SCHEMBL16636634 0.84 STIM1 (0.53) IL2STIM1ORAI1MEN1KMT2A

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 3716/4885TNF 4450/4885STIM1 17/4885

“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.