SCHEMBL5113646

SCHEMBL5113646

CC(C)(C)N(Cc1ncc(-c2ccncc2)s1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
LIMK1 P53667 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.37
CYP3A4 P08684 2/20 0.37
PI4KB Q9UBF8 1/20 0.37
KDR P35968 1/20 0.37
NAMPT P43490 1/20 0.36
CTSA P10619 1/20 0.36
ACKR3 P25106 1/20 0.36
MLYCD O95822 1/20 0.35
KIT P10721 4/20 0.35
FLT3 P36888 4/20 0.35
CYP2D6 P10635 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.35
NTRK1 P04629 1/20 0.34
SRC P12931 1/20 0.34
HDAC3 O15379 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
SCHEMBL164365 0.82 XDH (0.44) ERCC5FEN1HDAC1
SCHEMBL1584869 0.75 HSP90AA1 (0.38) HDAC3HDAC4HDAC6FFAR2
SCHEMBL17371937 0.74 MEN1 (0.50) CYP3A4CYP2D6
SCHEMBL3249923 0.72 GBA1 (0.36) HDAC6
SCHEMBL4758488 0.71 ERCC5 (0.48) ERCC5FEN1LIMK1LOXL2CYP3A4
SCHEMBL14819049 0.71 LIMK1 (0.55) ERCC5FEN1LIMK1LOXL2CYP3A4
SCHEMBL14304069 0.70 PDPK1 (0.57) ERCC5FEN1LIMK1CYP3A4NAMPT
SCHEMBL4758491 0.70 USP30 (0.44) LIMK1CYP3A4KDRCYP2D6CDC7
SCHEMBL14496869 0.68 CSNK2A1 (0.47) ERCC5FEN1LIMK1KDRNAMPT
SCHEMBL23826259 0.67 CYP19A1 (0.37) CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1607/4885LIMK1 469/4885

“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.