SCHEMBL1630593

SCHEMBL1630593

Cc1ncccc1CN(C=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA2A P29274 2/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GBA1 P04062 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
F2 P00734 1/20 0.33
ADORA1 P30542 1/20 0.32
CCNT1 O60563 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CTSA P10619 1/20 0.31
NR3C1 P04150 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL1632832 0.92 NPC1 (0.42) NPC1RAB9AADORA2AKDM4EMAPT
SCHEMBL1629932 0.88 KDM4E (0.43) NPC1RAB9AADORA2AKDM4EMAPT
SCHEMBL1631819 0.87 NPC1 (0.36) NPC1RAB9AADORA2AKDM4EMAPT
SCHEMBL1631033 0.87 ADORA2A (0.35) NPC1RAB9AADORA2AKDM4EMAPT
SCHEMBL1630351 0.86 GBA1 (0.42) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL1630790 0.86 GBA1 (0.35) NPC1RAB9AADORA2AKDM4EMAPT
SCHEMBL1632788 0.86 GRM5 (0.36) NPC1RAB9AADORA2AKDM4EMAPT
SCHEMBL1631299 0.85 NPC1 (0.35) NPC1RAB9AADORA2AKDM4EMAPT
SCHEMBL1630818 0.85 NPC1 (0.33) NPC1RAB9AADORA2AKDM4EMAPT
SCHEMBL1631283 0.85 GBA1 (0.37) NPC1RAB9AADORA2AKDM4EMAPT

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-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
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

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 1811/4885ADORA2A 2369/4885

“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.