SCHEMBL3550656

SCHEMBL3550656

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Cl)cccn23)n1)c1ccc(N2CCN(C)CC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.41
PAK1 Q13153 8/20 0.41
PLK1 P53350 2/20 0.40
FLT3 P36888 4/20 0.37
CDK2 P24941 1/20 0.36
SLC2A1 P11166 1/20 0.35
TNIK Q9UKE5 1/20 0.35
AXL P30530 1/20 0.34
PKMYT1 Q99640 1/20 0.34

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 0.91 IGF1R (0.45) IGF1RPLK1FLT3CDK2SLC2A1
SCHEMBL3556604 0.88 IGF1R (0.43) IGF1RPLK1FLT3CDK2SLC2A1
SCHEMBL3551627 0.83 PLK1 (0.46) IGF1RPLK1
SCHEMBL2199282 0.83 IGF1R (0.39) IGF1RPLK1CDK2
SCHEMBL3559021 0.83 IGF1R (0.39) IGF1RPLK1FLT3CDK2
SCHEMBL3547042 0.83 IGF1R (0.39) IGF1RPAK1PLK1FLT3CDK2
SCHEMBL3550094 0.83 PLK1 (0.39) IGF1RPLK1CDK2
SCHEMBL3549490 0.82 PLK1 (0.40) IGF1RPLK1CDK2
SCHEMBL3543396 0.82 IGF1R (0.43) IGF1RPLK1CDK2
SCHEMBL3555797 0.81 CDK2 (0.44) IGF1RPLK1CDK2

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 101/4885PAK1 384/4885PLK1 1/4885

“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.