SCHEMBL2197585

SCHEMBL2197585

Fc1cnc(Cl)nc1-c1cnc2c(Cl)cccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39
KMT2A Q03164 2/20 0.39
RELA Q04206 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RPS6KA5 O75582 2/20 0.36
HDAC8 Q9BY41 1/20 0.34
IGF1R P08069 2/20 0.33
AURKA O14965 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
EPHB3 P54753 1/20 0.30
ABL1 P00519 1/20 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
SCHEMBL3313213 0.90 MAPT (0.40) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2198699 0.87 KDM4E (0.42) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2196334 0.84 IDO1 (0.36) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2198428 0.84 MAPT (0.36) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2196494 0.83 KDM4E (0.39) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL3312533 0.83 IGF1R (0.44) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2197833 0.83 POLB (0.36) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2196399 0.82 NR1I2 (0.37) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL700990 0.79 FLT3 (0.52) MAPTNPC1RAB9AIGF1REPHB3
SCHEMBL3314823 0.78 IGF1R (0.38) MAPTSMN1; SMN2KDM4EMEN1NPC1

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 MAPT 3589/4885SMN1; SMN2 3452/4885KDM4E 489/4885
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 MAPT 2348/4885SMN1; SMN2 4230/4885KDM4E 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.