SCHEMBL12377529

SCHEMBL12377529

[C-]#[N+]c1ccc2[nH]c(-c3ccncc3)c(-c3c(C)noc3C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.43
DYRK1A Q13627 6/20 0.41
RAF1 P04049 5/20 0.41
MET P08581 8/20 0.38
BRD4 O60885 3/20 0.37
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL12377502 0.82 DYRK1A (0.54) DYRK1ARAF1METMAPK14
SCHEMBL12377530 0.81 DYRK1A (0.42) DYRK1ARAF1METMAPK14KDM4E
SCHEMBL2286657 0.80 MET (0.63) NSD3DYRK1ARAF1METBRD4
SCHEMBL12377494 0.77 RAF1 (0.63) DYRK1ARAF1METMAPK14
SCHEMBL12377508 0.75 MET (0.63) DYRK1ARAF1METMAPK14
SCHEMBL12377497 0.75 DYRK1A (0.49) DYRK1ARAF1METMAPK14
SCHEMBL12377503 0.75 MET (0.63) DYRK1ARAF1METMAPK14
SCHEMBL12377501 0.74 DYRK1A (0.44) DYRK1ARAF1METMAPK14
SCHEMBL12377493 0.73 MET (0.65) DYRK1ARAF1METMAPK14
SCHEMBL12377518 0.73 MET (0.53) DYRK1ARAF1METMAPK14

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 NSD3 248/4885DYRK1A 153/4885RAF1 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.