SCHEMBL12388397

SCHEMBL12388397

COc1cc(C(=O)NC2CCNCC2)c(F)cc1N

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.65
ALDH1A1 P00352 2/20 0.50
PTK2 Q05397 4/20 0.49
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
HTR3A P46098 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL13881180 0.89 HTR4 (0.51) HTR4ALDH1A1PTK2HTR3AKDM4E
SCHEMBL13461317 0.88 HTR4 (0.52) HTR4ALDH1A1PTK2HTR3AKDM4E
SCHEMBL13575489 0.86 HTR4 (0.49) HTR4ALDH1A1PTK2KDM4EMEN1
SCHEMBL13881171 0.86 MAPK1 (0.61) HTR4ALDH1A1HTR3ADRD4
SCHEMBL13575564 0.85 HTR4 (0.52) HTR4CCNA2CDK2
SCHEMBL1163804 0.85 KDM4E (0.51) HTR4ALDH1A1PTK2KDM4EMEN1
SCHEMBL3535920 0.84 HTR4 (0.47) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL14221621 0.84 HTR4 (0.47) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL3539061 0.82 KDM4E (0.69) HTR4HTR3AKDM4EMEN1MAPT
SCHEMBL3942580 0.81 HTR4 (0.47) HTR4KDM4EMEN1MAPTKMT2A

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-20110201818-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-18 US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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-20110201818-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK HTR4 4802/4885ALDH1A1 4009/4885PTK2 349/4885

“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.