SCHEMBL3554503

SCHEMBL3554503

Cc1c(NC(=O)OC(C)(C)C)ccn2c(-c3nc(N[C@@H](C)c4ccccc4)ncc3C#N)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
CTRB1 P17538 1/20 0.43
PLK1 P53350 4/20 0.40
GPR139 Q6DWJ6 1/20 0.36
TTK P33981 1/20 0.36
IGF1R P08069 2/20 0.35
CDK2 P24941 1/20 0.35
AR P10275 1/20 0.34
RPS6KB1 P23443 1/20 0.34
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 1/20 0.33
BRD9 Q9H8M2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CDK1 P06493 1/20 0.32
KDR P35968 1/20 0.32

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 0.83 PLK1 (0.43) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3550798 0.83 PLK1 (0.45) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3549263 0.82 PLK1 (0.45) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3549399 0.81 GPR139 (0.43) ELANECTRB1GPR139IGF1RRPS6KB1
SCHEMBL3551711 0.80 PLK1 (0.45) PLK1ARRPS6KB1ALDH1A1HPGD
SCHEMBL3557088 0.80 PLK1 (0.43) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3551924 0.78 PLK1 (0.43) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3546850 0.78 PLK1 (0.47) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3550669 0.77 PLK1 (0.48) PLK1IGF1RCDK2ARRPS6KB1
SCHEMBL3551627 0.75 PLK1 (0.46) PLK1IGF1RARRPS6KB1ALDH1A1

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 ELANE 2438/4885CTRB1 4225/4885PLK1 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.