SCHEMBL2199038

SCHEMBL2199038

Cc1cnc(Cl)nc1-c1cnc2c(C3CC3)cccn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
NR1I2 O75469 2/20 0.37
HSD11B1 P28845 2/20 0.37
CYP2C19 P33261 1/20 0.37
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
NFKB1 P19838 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB2 Q00653 2/20 0.34
KMT2A Q03164 2/20 0.34
RELA Q04206 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FLT3 P36888 2/20 0.33
IGF1R P08069 2/20 0.33
CCNT1 O60563 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
SCHEMBL2199205 0.88 NR1I2 (0.38) PDE10ANR1I2HSD11B1CYP2C19AKT1
SCHEMBL2196399 0.86 NR1I2 (0.37) PDE10ANR1I2HSD11B1CYP2C19AKT1
SCHEMBL2196494 0.82 KDM4E (0.39) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3314823 0.80 IGF1R (0.38) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3314996 0.79 CYP11B1 (0.39) NR1I2HSD11B1CYP2C19AKT1AKT2
SCHEMBL2195816 0.78 GABRA1 (0.44) NR1I2HSD11B1CYP2C19KDM4EMEN1
SCHEMBL3315346 0.73 DYRK1A (0.46) FLT3IGF1RCCNT1CDK9
SCHEMBL2198699 0.70 KDM4E (0.42) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3313213 0.68 MAPT (0.40) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL2197585 0.67 MAPT (0.39) 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 6 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
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

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 PDE10A 4062/4885NR1I2 1418/4885HSD11B1 3011/4885

“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.