SCHEMBL2198699

SCHEMBL2198699

Clc1ncc(Cl)c(-c2cnc3c(Cl)cccn23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB2 Q00653 2/20 0.42
KMT2A Q03164 2/20 0.42
RELA Q04206 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RPS6KA5 O75582 3/20 0.39
HDAC8 Q9BY41 1/20 0.36
IGF1R P08069 9/20 0.36
RPS6KA4 O75676 1/20 0.34
CDK2 P24941 2/20 0.34
JUN P05412 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34

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
SCHEMBL2196494 0.87 KDM4E (0.39) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL2197585 0.87 MAPT (0.39) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3312533 0.87 IGF1R (0.44) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL2199205 0.83 NR1I2 (0.38) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3314551 0.79 FLT3 (0.48) IGF1RCDK2JUNMAPK8MAPK9
SCHEMBL2197827 0.78 GABRA1 (0.50) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3313213 0.77 MAPT (0.40) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3314823 0.73 IGF1R (0.38) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL25245121 0.72 HDAC8 (0.45) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL2198428 0.72 MAPT (0.36) KDM4EMEN1NPC1ALDH1A1MAPT

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-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 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

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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 KDM4E 1233/4885MEN1 3180/4885NPC1 2948/4885

“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.