SCHEMBL12377525

SCHEMBL12377525

[C-]#[N+]c1ccc2[nH]c(-c3cccn3C)c(-c3ccc(F)cc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.40
MET P08581 2/20 0.39
RAF1 P04049 3/20 0.34
DYRK1A Q13627 3/20 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
SCHEMBL2287732 0.80 MET (0.62) MAPK14METRAF1DYRK1AKDM4E
SCHEMBL12377478 0.80 MAPK14 (0.51) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377526 0.77 MAPK14 (0.39) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377508 0.77 MET (0.63) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377524 0.76 MAPK14 (0.48) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377485 0.76 MGAM (0.40) MAPK14METRAF1DYRK1AKDM4E
SCHEMBL12377484 0.76 MET (0.64) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377528 0.76 MAPT (0.50) MAPK14METRAF1DYRK1AKDM4E
SCHEMBL12377519 0.76 MAPK14 (0.52) MAPK14METRAF1DYRK1AKDM4E
SCHEMBL12377510 0.74 MET (0.58) MAPK14METRAF1DYRK1AMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET MAPK14 818/4885MET 8/4885RAF1 281/4885

“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.