SCHEMBL3550762

SCHEMBL3550762

Cc1cccn2c(-c3nc(N[C@@H](C)c4cccc(NC5CCN(C)CC5)c4)ncc3C#N)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.39
CCNA2 P20248 6/20 0.39
CDK1 P06493 5/20 0.39
CCNB1 P14635 5/20 0.39
CCNT1 O60563 5/20 0.39
CDK9 P50750 5/20 0.39
CDK7 P50613 4/20 0.39
CCNH P51946 4/20 0.39
PLK1 P53350 4/20 0.38
IGF1R P08069 3/20 0.35
BRD4 O60885 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNA1 P78396 1/20 0.34
JUN P05412 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
KDM1A O60341 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL3554818 0.93 CDK2 (0.38) CDK2CCNA2CDK1CCNB1CCNT1
SCHEMBL3547042 0.92 IGF1R (0.39) CDK2CCNA2CDK1CCNB1CCNT1
SCHEMBL3550088 0.92 PLK1 (0.39) CDK2CCNA2CDK1CCNB1CCNT1
SCHEMBL3554840 0.91 CDK2 (0.37) CDK2CCNA2CDK1CCNB1CCNT1
SCHEMBL3551067 0.90 PLK1 (0.38) CDK2CCNA2CDK1CCNB1CCNT1
SCHEMBL3550095 0.89 CDK2 (0.37) CDK2CCNA2CDK1CCNB1CCNT1
SCHEMBL3551217 0.89 MAPK9 (0.40) CDK2CCNA2CDK1CCNB1CCNT1
SCHEMBL3554422 0.88 PLK1 (0.38) CDK2CCNA2CDK1CCNB1CCNT1
SCHEMBL3558476 0.88 CDK2 (0.35) CDK2CCNA2CDK1CCNB1CCNT1
SCHEMBL27691656 0.88 PLK1 (0.39) CDK2CCNA2CDK1CCNB1CCNT1

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 8 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 claimed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US claimed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP claimed
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 CDK2 72/4885CCNA2 438/4885CDK1 2/4885

“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.