SCHEMBL16636948

SCHEMBL16636948

Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2cc(F)nc(F)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.39
ABCC1 P33527 2/20 0.39
CSNK1D P48730 5/20 0.39
CSNK1E P49674 5/20 0.39
ABL1 P00519 5/20 0.38
KDM4E B2RXH2 1/20 0.36
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
GRM5 P41594 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL16636863 0.85 IL2 (0.39) ABCB1ABCC1CSNK1DCSNK1EKDM4E
SCHEMBL16636428 0.84 IL2 (0.45) KDM4ENPC1PKMRAB9A
SCHEMBL16636510 0.83 IL2 (0.37) CSNK1DCSNK1EKDM4ENPC1PKM
SCHEMBL16636887 0.83 NPC1 (0.37) ABCB1KDM4ENPC1PKMRAB9A
SCHEMBL16637371 0.82 IL2 (0.43) ABL1KDM4ENPC1PKMRAB9A
SCHEMBL16636702 0.81 MAOB (0.38) KDM4ENPC1RAB9A
SCHEMBL16636859 0.74 HTR1F (0.38) ABCB1ABCC1CSNK1DCSNK1EABL1
SCHEMBL16636909 0.73 IL2 (0.42) KDM4ENPC1PKMRAB9AF10
SCHEMBL16636744 0.73 IL2 (0.48)
SCHEMBL16636701 0.73 IL2 (0.42) KDM4ENPC1RAB9AF10

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 ABCB1 1679/4885ABCC1 1380/4885CSNK1D 1332/4885

“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.