SCHEMBL16636692

SCHEMBL16636692

Cc1nn(-c2nccs2)cc1-c1cnc(NC(=O)c2ccccc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
DYRK1A Q13627 2/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
HTT P42858 2/20 0.39
ABL1 P00519 1/20 0.39
STIM1 Q13586 2/20 0.39
ORAI1 Q96D31 2/20 0.39
ORAI2 Q96SN7 1/20 0.39

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
SCHEMBL16636685 0.90 IL2 (0.48) TP53GAAKMT2AHTTSTIM1
SCHEMBL16636612 0.88 IL2 (0.36) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL16636634 0.88 STIM1 (0.53) SMN1; SMN2KDM4EPOLBKMT2ASTIM1
SCHEMBL16636506 0.86 SMN1; SMN2 (0.40) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL16636766 0.85 STIM1 (0.40) STIM1ORAI1ORAI2IL2
SCHEMBL16636481 0.84 IL2 (0.41) STIM1ORAI1ORAI2IL2
SCHEMBL16636678 0.84 IL2 (0.42) NPC1RAB9ASTIM1ORAI1ORAI2
SCHEMBL16636706 0.83 MEN1 (0.47) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL16636669 0.83 POLB (0.41) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL16636870 0.82 IL2 (0.37) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1

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 SMN1; SMN2 854/4885KDM4E 4057/4885NPC1 262/4885

“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.