SCHEMBL4758474

SCHEMBL4758474

CN(C(=O)O)c1nc(-c2ccncc2)co1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 8/20 0.43
CES1 P23141 1/20 0.41
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAP2K3 P46734 2/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALOX15 P16050 1/20 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
SCHEMBL4789045 0.73 SMN1; SMN2 (0.47) GRM1KMT2ANPC1RAB9A
SCHEMBL27768589 0.70 CES1 (0.53) CES1KMT2AMAP2K3MAPK14
SCHEMBL4789608 0.70 GRM1 (0.43) GRM1ROCK2ROCK1KMT2AKDM4E
SCHEMBL13484046 0.68 ENPP3 (0.66) KMT2AKDM4ENPC1RAB9A
SCHEMBL481904 0.67 KDM4E (0.58) GRM1KMT2AKDM4E
SCHEMBL4757627 0.66 CES1 (0.43) CES1ROCK2ROCK1
SCHEMBL13209803 0.65 LTA4H (0.54) CES1KMT2AKDM4ENPC1RAB9A
SCHEMBL15922564 0.64 LMNA (0.40) CES1KMT2AKDM4ENPC1RAB9A
SCHEMBL4865570 0.64 LMNA (0.40) CES1KMT2AKDM4ENPC1RAB9A
SCHEMBL12622465 0.64 CES1 (0.56) CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA GRM1 3978/4885CES1 2354/4885ROCK2 2/4885

“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.