SCHEMBL10201077

SCHEMBL10201077

Cc1ccc(C(=O)Nc2ncc(-c3cc4ccccc4n3C)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.51
KDR P35968 1/20 0.50
SCD O00767 1/20 0.49
STIM1 Q13586 3/20 0.48
ORAI1 Q96D31 3/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MITF O75030 1/20 0.46
XBP1 P17861 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
AHR P35869 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL10201476 0.91 STIM1 (0.59) PDE10AKDRSCDSTIM1ORAI1
SCHEMBL29642129 0.82 PDE10A (0.62) PDE10AKDRSTIM1ORAI1NPC1
SCHEMBL10201084 0.82 PDE10A (0.62) PDE10AKDRSTIM1ORAI1NPC1
SCHEMBL17107103 0.75 KDR (0.81) KDRSCDNPC1RAB9AMEN1
SCHEMBL10201029 0.74 STIM1 (0.83) KDRSTIM1ORAI1NPC1RAB9A
SCHEMBL2404429 0.74 KMT2A (0.50) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL12241114 0.72 NPC1 (0.51) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL12241210 0.72 NPC1 (0.51) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL10201045 0.72 STIM1 (0.51) KDRSCDSTIM1ORAI1NPC1
SCHEMBL5835430 0.71 CCNE1 (0.60) PDE10AKDRSCDSTIM1ORAI1

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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US 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 (2 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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PDE10A 496/4885KDR 4551/4885SCD 356/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PDE10A 496/4885KDR 4551/4885SCD 356/4885

“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.