SCHEMBL3556879

SCHEMBL3556879

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Cl)cccn23)n1)c1cccc(N2CC[C@@H](N)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.42
PLK1 P53350 4/20 0.38
CDK2 P24941 3/20 0.37
PTPN11 Q06124 1/20 0.34
KCNH2 Q12809 2/20 0.34
RPS6KB1 P23443 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
FLT3 P36888 1/20 0.33
CCNT1 O60563 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK9 P50750 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
CCNA1 P78396 1/20 0.33
HRH4 Q9H3N8 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
SCHEMBL3555811 0.92 IGF1R (0.42) IGF1RPLK1CDK2PTPN11KCNH2
SCHEMBL3555797 0.87 CDK2 (0.44) IGF1RPLK1CDK2KCNH2CCNT1
SCHEMBL3558464 0.86 IGF1R (0.41) IGF1RPLK1CDK2KCNH2RPS6KB1
SCHEMBL3555004 0.86 IGF1R (0.41) IGF1RPLK1CDK2KCNH2
SCHEMBL3549490 0.85 PLK1 (0.40) IGF1RPLK1CDK2RPS6KB1PIK3CD
SCHEMBL3554402 0.83 IGF1R (0.48) IGF1RCDK2KCNH2CCNT1CCNA2
SCHEMBL3551627 0.82 PLK1 (0.46) IGF1RPLK1RPS6KB1CDK1
SCHEMBL3547042 0.81 IGF1R (0.39) IGF1RPLK1CDK2FLT3CCNT1
SCHEMBL3550656 0.80 IGF1R (0.41) IGF1RPLK1CDK2FLT3
SCHEMBL3554773 0.80 IGF1R (0.38) IGF1RPLK1CDK2KCNH2FLT3

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.