SCHEMBL3554422

SCHEMBL3554422

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Cl)c(Cl)ccn23)n1)c1cccc(NC2CCN(C)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.38
CDK2 P24941 7/20 0.37
CCNT1 O60563 5/20 0.37
CDK1 P06493 5/20 0.37
CCNB1 P14635 5/20 0.37
CDK7 P50613 5/20 0.37
CDK9 P50750 5/20 0.37
CCNH P51946 5/20 0.37
CCNA2 P20248 4/20 0.37
IGF1R P08069 2/20 0.36
MAPK1 P28482 2/20 0.34
JUN P05412 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
JAK3 P52333 1/20 0.33
FLT3 P36888 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CCND3 P30281 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
SCHEMBL3547042 0.92 IGF1R (0.39) PLK1CDK2CCNT1CDK1CCNB1
SCHEMBL3543398 0.89 CCNT1 (0.37) PLK1CDK2CCNT1CDK1CCNB1
SCHEMBL3550762 0.88 CDK2 (0.39) PLK1CDK2CCNT1CDK1CCNB1
SCHEMBL3554818 0.88 CDK2 (0.38) PLK1CDK2CCNT1CDK1CCNB1
SCHEMBL3554840 0.87 CDK2 (0.37) PLK1CDK2CCNT1CDK1CCNB1
SCHEMBL3551067 0.86 PLK1 (0.38) PLK1CDK2CCNT1CDK1CCNB1
SCHEMBL3551217 0.85 MAPK9 (0.40) PLK1CDK2CCNT1CDK1CCNB1
SCHEMBL3550095 0.85 CDK2 (0.37) PLK1CDK2CCNT1CDK1CCNB1
SCHEMBL3557550 0.84 CDK2 (0.38) PLK1CDK2CCNT1CDK1CCNB1
SCHEMBL3558476 0.84 CDK2 (0.35) PLK1CDK2CCNT1CDK1CCNB1

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 PLK1 1/4885CDK2 72/4885CCNT1 252/4885

“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.