SCHEMBL12377519

SCHEMBL12377519

[C-]#[N+]c1ccc2[nH]c(-c3cccnc3)c(-c3ccc(F)cc3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.52
MET P08581 3/20 0.49
RAF1 P04049 3/20 0.43
DYRK1A Q13627 2/20 0.42
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
CYP11B1 P15538 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPY5R Q15761 1/20 0.38
PRKD1 Q15139 1/20 0.38

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
SCHEMBL12377484 0.87 MET (0.64) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377478 0.87 MAPK14 (0.51) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377508 0.86 MET (0.63) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377510 0.85 MET (0.58) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377522 0.82 MET (0.44) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL2286057 0.80 MET (0.77) MAPK14METRAF1KDM4EALDH1A1
SCHEMBL12377494 0.78 RAF1 (0.63) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377524 0.78 MAPK14 (0.48) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377504 0.78 MAPK14 (0.47) MAPK14METRAF1DYRK1AMAPK13
SCHEMBL12377502 0.78 DYRK1A (0.54) 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.