SCHEMBL16636932

SCHEMBL16636932

CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)ccc(F)c2F)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
BRD4 O60885 1/20 0.35
IL2 P60568 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRAF P15056 3/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33

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
SCHEMBL16636701 0.92 IL2 (0.42) SCN9ASCN5AIL2NPC1RAB9A
SCHEMBL16636954 0.90 MEN1 (0.37) IL2BRAFMEN1ALDH1A1MAPT
SCHEMBL16636859 0.90 HTR1F (0.38) SCN9ASCN5AIL2MAPK1CSNK1D
SCHEMBL16636906 0.89 IL2 (0.38) SCN9ASCN5AIL2BRAF
SCHEMBL16636510 0.88 IL2 (0.37) SCN9ABRD4IL2NPC1RAB9A
SCHEMBL16636752 0.85 BRD4 (0.36) SCN9ASCN5ABRD4IL2NPC1
SCHEMBL16636748 0.83 BRD4 (0.35) BRD4IL2BRAFMAPK1GRIN2B
SCHEMBL16636507 0.82 CYP1A2 (0.38) NPC1RAB9ABRAFMEN1ALDH1A1
SCHEMBL16636740 0.82 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL16636716 0.82 IL2 (0.45) IL2NPC1RAB9ASMN1; SMN2MEN1

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 235/4885SCN5A 191/4885BRD4 1839/4885

“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.