SCHEMBL675734

SCHEMBL675734

O=[N+]([O-])c1ccccc1Nc1ccc2c(n1)[nH]c1ccc(C=Cc3ccccc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
RAB9A P51151 6/20 0.42
MAPK1 P28482 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP7 P55210 1/20 0.40
ALK Q9UM73 2/20 0.40
LRRK2 Q5S007 1/20 0.39
IP6K1 Q92551 1/20 0.38
NPC1 O15118 4/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NFE2L2 Q16236 1/20 0.36
EPAS1 Q99814 1/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL678894 1.00 MAPT (0.45) MAPTRAB9AMAPK1MEN1KMT2A
SCHEMBL13464098 0.91 IP6K1 (0.39) MAPTRAB9AMAPK1MEN1KMT2A
SCHEMBL676816 0.82 MAPT (0.51) MAPTRAB9AMAPK1MEN1KMT2A
SCHEMBL675372 0.82 NFE2L2 (0.48) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL678867 0.80 IP6K1 (0.40) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL698441 0.80 IP6K1 (0.40) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL675735 0.80 MAPT (0.43) MAPTRAB9AMAPK1MEN1KMT2A
SCHEMBL676476 0.72 IP6K1 (0.44) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL676823 0.71 KDM4E (0.44) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL679240 0.71 KDM4E (0.44) MAPTRAB9AMEN1KMT2ASMN1; SMN2

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 4 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 claimed
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
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 1494/4885RAB9A 2539/4885MAPK1 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.