SCHEMBL3549513

SCHEMBL3549513

COC(=O)c1cccn2c(-c3ccnc(SC)n3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.46
DRD1 P21728 1/20 0.46
DYRK3 O43781 1/20 0.46
DYRK2 Q92630 1/20 0.46
KMT2A Q03164 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
FLT3 P36888 2/20 0.38
MAPK9 P45984 6/20 0.37
MAPK8 P45983 2/20 0.37
EGFR P00533 3/20 0.37
MEN1 O00255 1/20 0.36
PTK2 Q05397 1/20 0.36
KCNH2 Q12809 1/20 0.36
CSNK1E P49674 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 0.82 DRD1 (0.45) DYRK1ADRD1DYRK2MKNK1DYRK1B
SCHEMBL3557012 0.77 CAMK2D (0.47) DYRK1ADRD1FLT3MAPK9MAPK8
SCHEMBL183868 0.76 MAPK9 (0.54) DYRK1ADYRK3DYRK2CCNA2CDK2
SCHEMBL20294300 0.73 DRD1 (0.45) DRD1KMT2AMKNK1MEN1
SCHEMBL12272986 0.72 CSNK1E (0.58) DYRK1ADYRK3DYRK2CCNA2CDK2
SCHEMBL12491894 0.72 DYRK1A (0.41) DYRK1ADYRK3DYRK2CCNA2CDK2
SCHEMBL3557515 0.71 DYRK1A (0.65) DYRK1ADYRK3DYRK2CCNA2CDK2
SCHEMBL1880365 0.71 NPSR1 (0.44) DRD1KMT2AMKNK1MEN1
SCHEMBL3554702 0.70 MAPK9 (0.43) DYRK1ADYRK2MKNK1DYRK1BFLT3
SCHEMBL12272621 0.69 DYRK1A (0.39) DYRK1ADYRK3DYRK2CCNA2CDK2

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 DYRK1A 483/4885DRD1 3018/4885DYRK3 265/4885

“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.