SCHEMBL676816

SCHEMBL676816

O=[N+]([O-])c1ccccc1Nc1ccc2c(n1)[nH]c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPK1 P28482 4/20 0.51
MEN1 O00255 4/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CASP7 P55210 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
BCL2 P10415 1/20 0.45
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA5A P35218 1/20 0.44
CNR2 P34972 1/20 0.42
PKM P14618 1/20 0.42
ALK Q9UM73 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL675734 0.82 MAPT (0.45) MAPTKMT2AMAPK1MEN1RAB9A
SCHEMBL678894 0.82 MAPT (0.45) MAPTKMT2AMAPK1MEN1RAB9A
SCHEMBL675735 0.81 MAPT (0.43) MAPTKMT2AMAPK1MEN1RAB9A
SCHEMBL675511 0.77 PTK6 (0.61) MAPTKMT2ASMN1; SMN2ALDH1A1ABCG2
SCHEMBL21589212 0.76 MAPT (0.56) MAPTKMT2AMAPK1MEN1RAB9A
SCHEMBL29360945 0.76 MAPT (0.47) MAPTKMT2AMAPK1MEN1RAB9A
SCHEMBL675364 0.75 ERBB2 (0.64) MAPTKMT2AMAPK1MEN1RAB9A
SCHEMBL29363280 0.75 MAPK1 (0.49) MAPTKMT2AMAPK1MEN1RAB9A
SCHEMBL21589066 0.75 MAPK1 (0.49) MAPTKMT2AMAPK1MEN1RAB9A
SCHEMBL676067 0.73 CA5A (0.56) MAPTKMT2AMAPK1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 MAPT 1494/4885KMT2A 492/4885MAPK1 1758/4885

“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.