SCHEMBL3549784

SCHEMBL3549784

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(CN5CCOCC5)cc4)ncc3C#N)cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.44
KDR P35968 6/20 0.44
IDH1 O75874 5/20 0.41
IGF1R P08069 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
PLK1 P53350 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.37
IDH2 P48735 3/20 0.35
NSD2 O96028 1/20 0.35
CHUK O15111 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
SCHEMBL3558801 0.85 PLK1 (0.38) CDK1KDRIDH1IGF1RKDM4E
SCHEMBL3552091 0.85 PLK1 (0.38) CDK1KDRIDH1IGF1RKDM4E
SCHEMBL3546850 0.83 PLK1 (0.47) CDK1KDRIDH1IGF1RALDH1A1
SCHEMBL3546619 0.83 PLK1 (0.39) CDK1KDRIDH1IGF1RKDM4E
SCHEMBL4257883 0.83 ALDH1A1 (0.43) CDK1KDRIDH1IGF1RKDM4E
SCHEMBL3550499 0.83 PLK1 (0.39) MAPK1PLK1MAPK8
SCHEMBL3558617 0.83 PLK1 (0.39) CDK1KDRIDH1IGF1RKDM4E
SCHEMBL3554854 0.83 PLK1 (0.36) CDK1KDRIDH1IGF1RKDM4E
SCHEMBL4264332 0.82 PLK1 (0.37) CDK1KDRIGF1RKDM4EALDH1A1
SCHEMBL2199778 0.82 PLK1 (0.38) CDK1KDRIDH1IGF1RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101048406-B Novel substituted imidazole derivatives BANYU PHARMA CO LTD 2010-12-22 CN disclosed
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
CN-101048406-A Novel substituted imidazole derivatives BANYU PHARMA CO LTD (JP) 2007-10-03 CN 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 CDK1 2/4885KDR 2133/4885IDH1 767/4885

“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.