SCHEMBL3550798

SCHEMBL3550798

COC(=O)c1ccn2c(-c3nc(N[C@@H](C)c4ccccc4)ncc3C#N)cnc2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.45
IGF1R P08069 2/20 0.38
CDK2 P24941 1/20 0.38
BDKRB1 P46663 1/20 0.37
RPS6KB1 P23443 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
AR P10275 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
CDK1 P06493 2/20 0.35
KDR P35968 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
MAPK14 Q16539 1/20 0.34
P2RY12 Q9H244 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL3550655 0.92 PLK1 (0.43) PLK1IGF1RCDK2RPS6KB1HDAC3
SCHEMBL3549263 0.86 PLK1 (0.45) PLK1IGF1RCDK2RPS6KB1HDAC3
SCHEMBL3551711 0.84 PLK1 (0.45) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3557088 0.84 PLK1 (0.43) PLK1IGF1RCDK2RPS6KB1HDAC3
SCHEMBL3550669 0.83 PLK1 (0.48) PLK1IGF1RCDK2RPS6KB1HDAC3
SCHEMBL3554503 0.83 ELANE (0.43) PLK1IGF1RCDK2RPS6KB1HDAC3
SCHEMBL3551924 0.82 PLK1 (0.43) PLK1IGF1RCDK2RPS6KB1AR
SCHEMBL3546850 0.81 PLK1 (0.47) PLK1IGF1RCDK2RPS6KB1AR
SCHEMBL3556865 0.81 PLK1 (0.46) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3560040 0.80 PLK1 (0.47) PLK1IGF1RCDK2RPS6KB1ALDH1A1

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 1/4885IGF1R 101/4885CDK2 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.