SCHEMBL2200414

SCHEMBL2200414

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
IGF1R P08069 1/20 0.36
KDM4E B2RXH2 6/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34
MEN1 O00255 3/20 0.34
NFKB1 P19838 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RPS6KA5 O75582 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL2200361 0.87 KDM4E (0.42) KDM4EMAPTALDH1A1RXFP1IRAK4
SCHEMBL3554797 0.87 ABL1 (0.33) BRD4IGF1RKDM4EMAPTALDH1A1
SCHEMBL3558571 0.87 IGF1R (0.33) BRD4IGF1RKDM4EMAPTLMNA
SCHEMBL3552402 0.86 GABRA1 (0.38) IGF1RKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL3558603 0.86 BRD4 (0.34) BRD4IGF1RKDM4EMAPTLMNA
SCHEMBL3553100 0.84 KDM4E (0.39) BRD4IGF1RKDM4E
SCHEMBL2198656 0.84 BRD4 (0.35) BRD4IGF1RKDM4EMAPTKMT2A
SCHEMBL3546879 0.84 IGF1R (0.34) BRD4IGF1RKDM4EIRAK4GABRA1
SCHEMBL2198235 0.84 KDM4E (0.32) IGF1RKDM4EIRAK4GABRA1GABRG2
SCHEMBL2197951 0.84 GABRA1 (0.32) IGF1RKDM4EIRAK4GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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 (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 38/4885IGF1R 101/4885KDM4E 489/4885
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 BRD4 228/4885IGF1R 812/4885KDM4E 1233/4885

“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.