SCHEMBL1630977

SCHEMBL1630977

COC(=O)[C@@H](C)NC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSA P10619 1/20 0.37
RPS6KB1 P23443 2/20 0.37
AKT1 P31749 1/20 0.37
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
AURKA O14965 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2A1 P68400 2/20 0.34

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
SCHEMBL1632908 1.00 NPC1 (0.38) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL1629809 0.93 RPS6KB1 (0.39) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL1631123 0.93 RPS6KB1 (0.39) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL1630459 0.92 MEN1 (0.41) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL1632116 0.92 MEN1 (0.41) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL1632283 0.91 KDM4E (0.37) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL1632424 0.91 KDM4E (0.37) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL1631302 0.91 KDM4E (0.40) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL1630620 0.91 KDM4E (0.40) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL1632368 0.90 KDM4E (0.37) NPC1RAB9AKDM4EKMT2AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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 (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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 NPC1 4711/4885RAB9A 1811/4885KDM4E 3309/4885

“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.