SCHEMBL4758491

SCHEMBL4758491

CN(C(=O)O)c1ncc(-c2ccncc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.44
UCHL1 P09936 1/20 0.44
HSD17B10 Q99714 6/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 1/20 0.43
GRM1 Q13255 2/20 0.43
LIMK1 P53667 1/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL14496869 0.74 CSNK2A1 (0.47) LIMK1CDC7DBF4KDRHDAC3
SCHEMBL742466 0.72 CSNK2A1 (0.46) LIMK1CDC7DBF4KDRHDAC3
SCHEMBL15896467 0.72 LIMK1 (0.46) LIMK1CDC7DBF4CYP3A4CYP2C9
SCHEMBL27768698 0.72 HDAC3 (0.46) LIMK1CDC7DBF4LMNAKMT2A
SCHEMBL19260006 0.72 USP30 (0.56) USP30MAPK1LIMK1CDC7DBF4
SCHEMBL17107113 0.71 RAB9A (0.52) USP30UCHL1HSD17B10KDM4EGRM1
SCHEMBL21962876 0.71 USP30 (0.47) USP30UCHL1LMNARAB9AKDR
SCHEMBL27551022 0.71 KDR (0.47) USP30UCHL1CDC7DBF4CYP3A4
SCHEMBL11903628 0.70 SMN1; SMN2 (0.36) USP30UCHL1HSD17B10KDM4ECYP1A2
SCHEMBL15893969 0.70 LIMK1 (0.51) MAPK1LIMK1CDC7DBF4CYP1A2

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 USP30 2695/4885UCHL1 4173/4885HSD17B10 3012/4885

“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.