SCHEMBL3554702

SCHEMBL3554702

CS(=O)(=O)c1nccc(-c2cnc3c(C(=O)O)cccn23)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 10/20 0.43
DYRK1A Q13627 3/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MAPK8 P45983 6/20 0.41
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FLT3 P36888 4/20 0.38
EGFR P00533 1/20 0.36
CYP3A4 P08684 1/20 0.36
BRAF P15056 1/20 0.36
JAK3 P52333 1/20 0.36
MAPK10 P53779 1/20 0.36
KCNH2 Q12809 1/20 0.36
ERBB4 Q15303 1/20 0.36

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
SCHEMBL3550672 0.89 DRD1 (0.45) MAPK9DYRK1ADYRK2DYRK1BMKNK1
SCHEMBL3548686 0.77 DYRK1A (0.62) MAPK9DYRK1ADYRK2DYRK1BMAPK8
SCHEMBL27927010 0.75 DYRK1A (0.41) MAPK9DYRK1ADYRK2DYRK1BMAPK8
SCHEMBL29126610 0.75 KDM4C (0.45) KDM4EHSD17B10
SCHEMBL12271818 0.71 FLT3 (0.60) FLT3
SCHEMBL12272611 0.70 DYRK1A (0.38) MAPK9DYRK1ADYRK2DYRK1BMAPK8
SCHEMBL3549513 0.70 DYRK1A (0.46) MAPK9DYRK1ADYRK2DYRK1BMKNK1
SCHEMBL5550820 0.70 KDM4E (0.47) MKNK1KDM4ECASP1CASP7HSD17B10
SCHEMBL9090176 0.70 KDM4E (0.47) MKNK1KDM4ECASP1CASP7HSD17B10
SCHEMBL14836815 0.70 KDM4E (0.47) MKNK1MAPK8KDM4ECASP1CASP7

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-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A MAPK9 156/4885DYRK1A 483/4885DYRK2 418/4885

“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.