SCHEMBL16636495

SCHEMBL16636495

Cc1cccc(F)c1C(=O)Nc1ccc(-c2cn(-c3ccccc3F)nc2C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.48
IL2 P60568 4/20 0.47
WNT3A P56704 2/20 0.43
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
RIPK1 Q13546 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN5A Q14524 1/20 0.40
F10 P00742 1/20 0.40
ABL1 P00519 2/20 0.39
MEN1 O00255 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
SCHEMBL16636903 0.95 SCN9A (0.50) SCN9AIL2WNT3ASTIM1ORAI1
SCHEMBL16637360 0.90 SCN9A (0.47) SCN9AIL2WNT3ARIPK1NPC1
SCHEMBL16636750 0.87 NPC1 (0.58) SCN9ARIPK1NPC1RAB9AKDM4E
SCHEMBL16636674 0.86 IL2 (0.49) SCN9AIL2RIPK1NPC1RAB9A
SCHEMBL16637371 0.84 IL2 (0.43) SCN9AIL2STIM1ORAI1ORAI2
SCHEMBL16636782 0.80 GRM5 (0.41) SCN9AIL2RIPK1NPC1RAB9A
SCHEMBL16636219 0.80 NPC1 (0.44) SCN9ARIPK1NPC1RAB9AKDM4E
SCHEMBL16636525 0.80 IL2 (0.46) SCN9AIL2STIM1ORAI1ORAI2
SCHEMBL16636428 0.79 IL2 (0.45) SCN9AIL2STIM1ORAI1ORAI2
SCHEMBL16637889 0.77 IL2 (0.45) SCN9AIL2STIM1ORAI1ORAI2

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 SCN9A 235/4885IL2 3716/4885WNT3A 3476/4885

“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.