SCHEMBL16636903

SCHEMBL16636903

Cc1nn(-c2ccccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.50
IL2 P60568 6/20 0.48
WNT3A P56704 1/20 0.45
RIPK1 Q13546 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN5A Q14524 1/20 0.42
F10 P00742 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
TNF P01375 1/20 0.39
STIM1 Q13586 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
SCHEMBL16636495 0.95 SCN9A (0.48) SCN9AIL2WNT3ARIPK1SMN1; SMN2
SCHEMBL16637360 0.91 SCN9A (0.47) SCN9AIL2WNT3ARIPK1SMN1; SMN2
SCHEMBL16636674 0.91 IL2 (0.49) SCN9AIL2RIPK1SMN1; SMN2KDM4E
SCHEMBL16636750 0.90 NPC1 (0.58) SCN9ARIPK1SMN1; SMN2KDM4ENPC1
SCHEMBL16636525 0.84 IL2 (0.46) SCN9AIL2SMN1; SMN2KDM4ENPC1
SCHEMBL16636428 0.83 IL2 (0.45) SCN9AIL2SMN1; SMN2KDM4ENPC1
SCHEMBL16636782 0.83 GRM5 (0.41) SCN9AIL2RIPK1SMN1; SMN2KDM4E
SCHEMBL16636219 0.82 NPC1 (0.44) SCN9ARIPK1SMN1; SMN2KDM4ENPC1
SCHEMBL16637889 0.81 IL2 (0.45) SCN9AIL2SMN1; SMN2KDM4ENPC1
SCHEMBL16637371 0.79 IL2 (0.43) SCN9AIL2SMN1; SMN2KDM4ENPC1

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 8 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-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
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
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 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
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.