SCHEMBL2287732

SCHEMBL2287732

Cn1cccc1-c1[nH]c2ccc(C#N)nc2c1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.62
MAPK14 Q16539 4/20 0.40
CHEK1 O14757 1/20 0.35
RAF1 P04049 1/20 0.34
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
PRKD1 Q15139 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL12377525 0.80 MAPK14 (0.40) METMAPK14RAF1DYRK1AKDM4E
SCHEMBL2287097 0.80 MET (0.80) METMAPK14RAF1DYRK1AMAPK13
SCHEMBL2289275 0.77 MET (0.61) METMAPK14CHEK1RAF1DYRK1A
SCHEMBL2293156 0.77 MET (0.74) METMAPK14RAF1DYRK1AKDM4E
SCHEMBL2188232 0.77 MET (1.00) METMAPK14RAF1DYRK1AMAPK13
SCHEMBL2286561 0.77 MET (1.00) METMAPK14RAF1DYRK1AMAPK13
SCHEMBL2186136 0.76 MET (1.00) METMAPK14RAF1DYRK1AMAPK13
SCHEMBL2288612 0.76 MET (0.68) METMAPK14KDM4ENPC1GAA
SCHEMBL2286057 0.76 MET (0.77) METMAPK14RAF1KDM4EGAA
SCHEMBL2289893 0.74 MET (0.69) METMAPK14CHEK1MAPK13MAPK12

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-2342202-B1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2015-11-11 EP claimed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US claimed
EP-2342202-B1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2015-11-11 EP disclosed
EP-2342202-B1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2015-11-11 EP disclosed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US disclosed
WO-2010046013-A1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2010-04-29 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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET MET 8/4885MAPK14 818/4885CHEK1 286/4885

“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.