SCHEMBL2200361

SCHEMBL2200361

CSc1ncc(C#N)c(-c2cnc3c(C)cccn23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HSP90AB1 P08238 3/20 0.34
CASP1 P29466 3/20 0.34
HSD17B10 Q99714 3/20 0.34
GLA P06280 2/20 0.34
CASP7 P55210 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 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
SCHEMBL3554797 0.88 ABL1 (0.33) KDM4EALDH1A1HSP90AB1GABRA1GABRG2
SCHEMBL3558571 0.88 IGF1R (0.33) KDM4EALDH1A1GAAHSP90AB1GLA
SCHEMBL2200414 0.87 BRD4 (0.38) KDM4EALDH1A1HPGDGABRA1GABRG2
SCHEMBL3552402 0.87 GABRA1 (0.38) KDM4EALDH1A1HSP90AB1GABRA1GABRG2
SCHEMBL3553100 0.85 KDM4E (0.39) KDM4E
SCHEMBL2198656 0.85 BRD4 (0.35) KDM4EALDH1A1GAAHSD17B10GABRA1
SCHEMBL3546879 0.84 IGF1R (0.34) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL2197951 0.84 GABRA1 (0.32) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL2198235 0.84 KDM4E (0.32) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL3546212 0.84 BRD4 (0.34) KDM4EHSP90AB1GABRA1GABRG2GABRB3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114942-B1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS MSD KK (JP) 2012-10-31 EP disclosed
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
EP-2114942-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US disclosed
WO-2008081910-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-10 WO 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 (2 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 KDM4E 489/4885ALDH1A1 4349/4885GAA 4379/4885
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 KDM4E 1233/4885ALDH1A1 3451/4885GAA 4465/4885

“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.