SCHEMBL12377528

SCHEMBL12377528

[C-]#[N+]c1ccc2[nH]c(-c3cccs3)c(-c3ccc(F)cc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 6/20 0.44
MET P08581 2/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
DHODH Q02127 1/20 0.36
GAA P10253 1/20 0.36
MAPK13 O15264 1/20 0.36

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
SCHEMBL12377478 0.82 MAPK14 (0.51) MAPK14METMAPK13MAPK12MAPK11
SCHEMBL12377508 0.81 MET (0.63) MAPK14METMAPK13MAPK12MAPK11
SCHEMBL2288612 0.80 MET (0.68) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL12377484 0.78 MET (0.64) MAPK14METMAPK13MAPK12MAPK11
SCHEMBL12377519 0.77 MAPK14 (0.52) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL12377522 0.77 MET (0.44) MAPK14METMAPK13MAPK12MAPK11
SCHEMBL12377524 0.76 MAPK14 (0.48) MAPTMAPK14METMAPK13MAPK12
SCHEMBL12377525 0.76 MAPK14 (0.40) KDM4EMAPK14METNPC1GAA
SCHEMBL12377485 0.75 MGAM (0.40) KDM4EMEN1KMT2ASMN1; SMN2MAPK14
SCHEMBL12377510 0.75 MET (0.58) MAPK14METMAPK13MAPK12MAPK11

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 MAPT 4422/4885KDM4E 251/4885MEN1 128/4885

“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.