SCHEMBL16637360

SCHEMBL16637360

Cc1ccc(F)c(C(=O)Nc2ccc(-c3cn(-c4ccccc4F)nc3C)cn2)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.47
IL2 P60568 5/20 0.45
RIPK1 Q13546 1/20 0.43
WNT3A P56704 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 3/20 0.40
F10 P00742 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BRD4 O60885 1/20 0.38
SCN5A Q14524 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 0.91 SCN9A (0.50) SCN9AIL2RIPK1WNT3ASMN1; SMN2
SCHEMBL16636495 0.90 SCN9A (0.48) SCN9AIL2RIPK1WNT3ASMN1; SMN2
SCHEMBL16636750 0.85 NPC1 (0.58) SCN9ARIPK1SMN1; SMN2KDM4ENPC1
SCHEMBL16636782 0.85 GRM5 (0.41) SCN9AIL2RIPK1SMN1; SMN2KDM4E
SCHEMBL16636674 0.85 IL2 (0.49) SCN9AIL2RIPK1SMN1; SMN2KDM4E
SCHEMBL16636219 0.78 NPC1 (0.44) SCN9ARIPK1SMN1; SMN2KDM4ENPC1
SCHEMBL16636881 0.77 IL2 (0.38) SCN9AIL2SMN1; SMN2KDM4ENPC1
SCHEMBL16636510 0.77 IL2 (0.37) SCN9AIL2SMN1; SMN2KDM4ENPC1
SCHEMBL16636525 0.76 IL2 (0.46) SCN9AIL2SMN1; SMN2KDM4ENPC1
SCHEMBL16636428 0.76 IL2 (0.45) 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 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 3716/4885RIPK1 1720/4885

“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.