SCHEMBL14137232

SCHEMBL14137232

Nc1ncnc2c(/C=C/c3ccc(N=O)cc3)csc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 8/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 1/20 0.34
CLK1 P49759 2/20 0.33
CDC7 O00311 2/20 0.33
DBF4 Q9UBU7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL2236822 0.85 LIMK1 (0.42) LIMK1CDK5CDK5R1CLK1CDC7
SCHEMBL2236824 0.85 LIMK1 (0.42) LIMK1CDK5CDK5R1CLK1CDC7
SCHEMBL14137134 0.83 RAF1 (0.36) LIMK1CDK5CDK5R1CLK1CDC7
SCHEMBL2234020 0.82 LIMK1 (0.44) LIMK1CDK5CDK5R1CLK1CDC7
SCHEMBL2234011 0.82 LIMK1 (0.44) LIMK1CDK5CDK5R1CLK1CDC7
SCHEMBL2231153 0.80 CLK1 (0.47) CLK1NPC1MAPTHPGD
SCHEMBL2231157 0.80 CLK1 (0.47) CLK1NPC1MAPTHPGD
SCHEMBL2233601 0.80 LIMK1 (0.47) LIMK1CLK1KDM4ENPC1MAPT
SCHEMBL2233611 0.80 LIMK1 (0.47) LIMK1CLK1KDM4ENPC1MAPT
SCHEMBL14137149 0.78 MAPT (0.39) USP2MAPTRPS6KB1CLK4IRAK4

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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 LIMK1 378/4885CDK5 23/4885CDK5R1 133/4885

“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.