SCHEMBL4758488

SCHEMBL4758488

O=C(O)NCc1ncc(-c2ccncc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
NAMPT P43490 1/20 0.45
LIMK1 P53667 1/20 0.43
KDR P35968 2/20 0.41
GPR142 Q7Z601 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
CCNE1 P24864 2/20 0.40

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
SCHEMBL4758183 0.80 ABL1 (0.50) SMN1; SMN2
SCHEMBL14304069 0.80 PDPK1 (0.57) ERCC5FEN1NAMPTLIMK1CYP3A4
SCHEMBL12503674 0.80 XDH (0.49) ERCC5FEN1HDAC1HDAC8CSNK2A1
SCHEMBL14289617 0.75 LIMK1 (0.46) ERCC5FEN1NAMPTLIMK1KDR
SCHEMBL12503687 0.73 CSNK2A1 (0.47) ERCC5FEN1KDRHDAC1HDAC6
SCHEMBL14819049 0.73 LIMK1 (0.55) ERCC5FEN1LIMK1KDRCDC7
SCHEMBL14496869 0.73 CSNK2A1 (0.47) ERCC5FEN1NAMPTLIMK1KDR
SCHEMBL5113646 0.71 ERCC5 (0.43) ERCC5FEN1NAMPTLIMK1KDR
SCHEMBL11903625 0.71 FPR2 (0.46) HDAC6CCNE1CDK2SMN1; SMN2CDK5
SCHEMBL742466 0.71 CSNK2A1 (0.46) ERCC5FEN1NAMPTLIMK1KDR

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 ERCC5 3462/4885FEN1 1607/4885NAMPT 768/4885

“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.