SCHEMBL16636752

SCHEMBL16636752

O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C(F)(F)F)cn1)c1c(F)ccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
SCN9A Q15858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
IL2 P60568 1/20 0.33
IDO1 P14902 1/20 0.33
CDK1 P06493 3/20 0.32
CCNB1 P14635 3/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
LMNA P02545 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SCN5A Q14524 1/20 0.31
GRM4 Q14833 1/20 0.31
CSNK1D P48730 1/20 0.31

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
SCHEMBL16636715 0.92 IL2 (0.40) SCN9AIL2LMNATRPV1SMN1; SMN2
SCHEMBL16636510 0.87 IL2 (0.37) BRD4SCN9AIL2CDK1CCNB1
SCHEMBL16636932 0.85 SCN9A (0.36) BRD4SCN9AIL2CDK1CCNB1
SCHEMBL16636909 0.85 IL2 (0.42) SCN9ANPSR1IL2LMNASMN1; SMN2
SCHEMBL16636748 0.84 BRD4 (0.35) BRD4IL2CDK1CCNB1CCNA2
SCHEMBL16636723 0.81 NPC1 (0.39) IL2IDO1CDK1SMN1; SMN2NPC1
SCHEMBL16636428 0.79 IL2 (0.45) SCN9AIL2SMN1; SMN2NPC1ALDH1A1
SCHEMBL16636887 0.78 NPC1 (0.37) NPSR1LMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL16636766 0.78 STIM1 (0.40) BRD4SCN9AIL2CSNK1DCSNK1E
SCHEMBL16636701 0.77 IL2 (0.42) SCN9AIL2LMNASMN1; SMN2NPC1

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 BRD4 1839/4885SCN9A 235/4885NPSR1 1857/4885

“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.