SCHEMBL3550765

SCHEMBL3550765

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.36
IRAK4 Q9NWZ3 3/20 0.34
IRAK1 P51617 1/20 0.34
FLT3 P36888 2/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
IGF1R P08069 2/20 0.33
NRAS P01111 1/20 0.33
CDK2 P24941 4/20 0.33
CCNT1 O60563 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK7 P50613 2/20 0.33
CDK9 P50750 2/20 0.33
CCNH P51946 2/20 0.33
CCNA1 P78396 2/20 0.33
PRKCQ Q04759 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
SCHEMBL3553106 0.96 NRAS (0.38) PLK1IRAK4FLT3IGF1RNRAS
SCHEMBL3549615 0.93 PLK1 (0.37) PLK1IRAK4FLT3IGF1RNRAS
SCHEMBL3554840 0.91 CDK2 (0.37) PLK1IGF1RCDK2CCNT1CDK1
SCHEMBL3543384 0.91 PLK1 (0.36) PLK1IGF1RCDK2CCNT1CDK1
SCHEMBL3554773 0.91 IGF1R (0.38) PLK1IRAK4IRAK1FLT3CTSL
SCHEMBL3549633 0.91 PLK1 (0.38) PLK1IGF1RCDK2CCNT1CDK1
SCHEMBL3555183 0.90 PLK1 (0.37) PLK1IGF1RCDK2CDK1
SCHEMBL3546183 0.90 KDM4E (0.37) PLK1FLT3IGF1RCDK2CCNT1
SCHEMBL3558476 0.88 CDK2 (0.35) PLK1IGF1RCDK2CCNT1CDK1
SCHEMBL3551936 0.88 CDK2 (0.35) PLK1IGF1RCDK2CCNT1CDK1

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 PLK1 1/4885IRAK4 720/4885IRAK1 1392/4885

“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.