SCHEMBL2198656

SCHEMBL2198656

CCc1cccn2c(-c3nc(SC)ncc3C#N)cnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 6/20 0.33
GABRA1 P14867 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA3 P34903 4/20 0.32
IGF1R P08069 2/20 0.32
CDK2 P24941 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ALDH1A1 P00352 5/20 0.31
NTRK1 P04629 1/20 0.31
MAPT P10636 3/20 0.30
GABRA2 P47869 1/20 0.30
HSD17B10 Q99714 2/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 2/20 0.30
GAA P10253 2/20 0.30

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
SCHEMBL3546212 0.90 BRD4 (0.34) BRD4KDM4EGABRA1GABRG2GABRB3
SCHEMBL3546879 0.90 IGF1R (0.34) BRD4KDM4EGABRA1GABRG2GABRB3
SCHEMBL2200361 0.85 KDM4E (0.42) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL3554797 0.85 ABL1 (0.33) BRD4KDM4EGABRA1GABRG2GABRB3
SCHEMBL3558571 0.85 IGF1R (0.33) BRD4KDM4EGABRA1GABRG2GABRB3
SCHEMBL2200414 0.84 BRD4 (0.38) BRD4KDM4EGABRA1GABRG2GABRB3
SCHEMBL3552402 0.84 GABRA1 (0.38) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL2198235 0.84 KDM4E (0.32) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL3557071 0.83 MKNK1 (0.36) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL3554819 0.83 KDM4E (0.32) KDM4EGABRA1GABRG2GABRB3GABRA5

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-2114942-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR 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 BRD4 38/4885KDM4E 489/4885GABRA1 4631/4885
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 BRD4 228/4885KDM4E 1233/4885GABRA1 4313/4885

“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.