SCHEMBL3556604

SCHEMBL3556604

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Cl)cccn23)n1)c1ccc(N2CCCN(C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.43
PLK1 P53350 2/20 0.40
CDK2 P24941 4/20 0.39
CDK9 P50750 4/20 0.39
CDK6 Q00534 4/20 0.39
CCNK O75909 3/20 0.39
CCND3 P30281 3/20 0.39
CCNA2 P20248 3/20 0.39
RPS6KA3 P51812 1/20 0.38
SLC2A1 P11166 1/20 0.36
IDH1 O75874 2/20 0.36
PIK3CD O00329 1/20 0.35
PRKAB2 O43741 1/20 0.35
NUAK1 O60285 1/20 0.35
CCNT1 O60563 1/20 0.35
ABL1 P00519 1/20 0.35
FYN P06241 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL3554553 0.97 IGF1R (0.45) IGF1RPLK1CDK2CDK9CDK6
SCHEMBL3543396 0.88 IGF1R (0.43) IGF1RPLK1CDK2CDK9CCND3
SCHEMBL3550656 0.88 IGF1R (0.41) IGF1RPLK1CDK2SLC2A1FLT3
SCHEMBL3552038 0.87 PLK1 (0.42) IGF1RPLK1CDK2CDK9CDK6
SCHEMBL3550470 0.86 IDH1 (0.41) IGF1RPLK1CDK2CDK9CDK6
SCHEMBL3558549 0.85 PLK1 (0.41) IGF1RPLK1CDK2CDK9CDK6
SCHEMBL3554602 0.85 PLK1 (0.42) IGF1RPLK1CDK2CDK9CDK6
SCHEMBL3558464 0.85 IGF1R (0.41) IGF1RPLK1CDK2IDH1
SCHEMBL3555811 0.85 IGF1R (0.42) IGF1RPLK1CDK2CCND3IDH1
SCHEMBL3555421 0.85 IGF1R (0.48) IGF1RPLK1CDK2CDK9CCNA2

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 1/4885CDK2 72/4885

“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.