SCHEMBL3556610

SCHEMBL3556610

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1cccc(NC2CCN(Cc3cccnc3)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.38
KDR P35968 3/20 0.38
ACHE P22303 3/20 0.34
ROCK2 O75116 6/20 0.33
ROCK1 Q13464 2/20 0.33
CCR2 P41597 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
PLK1 P53350 3/20 0.32
CXCR4 P61073 1/20 0.32

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
SCHEMBL3546183 0.90 KDM4E (0.37) CDK1KDRKDM4EFLT3TYRO3
SCHEMBL3551936 0.89 CDK2 (0.35) CDK1KDRTYRO3MERTKPLK1
SCHEMBL3550649 0.88 CDK2 (0.34) CDK1KDRTYRO3MERTKPLK1
SCHEMBL3543384 0.88 PLK1 (0.36) CDK1KDRTYRO3MERTKPLK1
SCHEMBL3554840 0.88 CDK2 (0.37) CDK1KDRPLK1
SCHEMBL3549540 0.87 PLK1 (0.35) CDK1KDRPLK1
SCHEMBL3550765 0.85 PLK1 (0.36) CDK1FLT3PLK1
SCHEMBL3558476 0.85 CDK2 (0.35) CDK1PLK1
SCHEMBL3549633 0.84 PLK1 (0.38) CDK1KDRPLK1
SCHEMBL3549665 0.84 CDK1 (0.40) CDK1KDRROCK2ROCK1FLT3

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 CDK1 2/4885KDR 2133/4885ACHE 3497/4885

“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.