SCHEMBL4597942

SCHEMBL4597942

O=c1c(NCCc2ccc(O)cc2)c(Nc2ccc3[nH]cnc3c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.40
FES P07332 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT4 P35916 1/20 0.40
QPCT Q16769 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ROCK2 O75116 2/20 0.37
GSK3B P49841 2/20 0.37
ROCK1 Q13464 2/20 0.37
PRKG1 Q13976 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
GSK3A P49840 1/20 0.37
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
HTT P42858 3/20 0.35
SYK P43405 1/20 0.35
PARP1 P09874 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL4904991 0.89 ROCK2 (0.39) KDRFESFGFR1FLT4QPCT
SCHEMBL4598260 0.89 ROCK1 (0.47) KDRFLT4QPCTROCK2GSK3B
SCHEMBL4905133 0.83 PAK4 (0.38) KDRFESFGFR1FLT4QPCT
SCHEMBL4598611 0.82 ROCK1 (0.42) KDRFLT4QPCTROCK2GSK3B
SCHEMBL4910893 0.82 ROCK1 (0.47) KDRFLT4QPCTROCK2GSK3B
SCHEMBL4598825 0.81 QPCT (0.47) KDRQPCTL3MBTL1ROCK2GSK3B
SCHEMBL4905587 0.80 ROCK1 (0.48) KDRFLT4QPCTROCK2GSK3B
SCHEMBL4908588 0.80 QPCT (0.48) KDRFLT4QPCTROCK2GSK3B
SCHEMBL4905527 0.79 ROCK1 (0.42) KDRFLT4QPCTROCK2GSK3B
SCHEMBL4903241 0.78 ROCK1 (0.41) KDRFLT4QPCTROCK2GSK3B

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-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US claimed
EP-1910312-A1 QUADRATIC ACID II DERIVATIVES Merck Patent GmbH (DE) 2008-04-16 EP claimed
WO-2007014608-A1 QUADRATIC ACID II DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-08 WO claimed

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-20080234266-A1 Squaric Acid Derivatives II CHEK2, CHEK1, SGK3 KDR 2703/4885FES 3314/4885FGFR1 460/4885

“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.