SCHEMBL3554773

SCHEMBL3554773

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Cl)cccn23)n1)c1cccc(NC2CCNCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.38
PLK1 P53350 4/20 0.37
MAPK1 P28482 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
IRAK1 P51617 1/20 0.34
FLT3 P36888 2/20 0.34
CDK2 P24941 5/20 0.34
KCNH2 Q12809 3/20 0.34
NRAS P01111 1/20 0.34
JUN P05412 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
CCNA1 P78396 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 0.91 IGF1R (0.39) IGF1RPLK1MAPK1FLT3CDK2
SCHEMBL3550765 0.91 PLK1 (0.36) IGF1RPLK1MAPK1IRAK4IRAK1
SCHEMBL3554837 0.88 IGF1R (0.38) IGF1RPLK1MAPK1CDK2KCNH2
SCHEMBL3553106 0.86 NRAS (0.38) IGF1RPLK1IRAK4FLT3CDK2
SCHEMBL3558661 0.86 PLK1 (0.37) IGF1RPLK1MAPK1CDK2JUN
SCHEMBL3555797 0.84 CDK2 (0.44) IGF1RPLK1CDK2KCNH2CCNT1
SCHEMBL3554422 0.83 PLK1 (0.38) IGF1RPLK1MAPK1FLT3CDK2
SCHEMBL3549615 0.83 PLK1 (0.37) IGF1RPLK1IRAK4FLT3CDK2
SCHEMBL3550762 0.83 CDK2 (0.39) IGF1RPLK1CDK2JUNMAPK8
SCHEMBL3554818 0.83 CDK2 (0.38) IGF1RPLK1MAPK1CDK2JUN

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 IGF1R 101/4885PLK1 1/4885MAPK1 390/4885

“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.