SCHEMBL679355

SCHEMBL679355

Cc1ccc2c(n1)[nH]c1ccc([N+](=O)[O-])cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.57
ADORA1 P30542 2/20 0.57
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA2 P47869 1/20 0.51
LMNA P02545 1/20 0.51
PARP1 P09874 2/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
KIF11 P52732 1/20 0.49

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
SCHEMBL29540314 0.78 GABRA1 (0.70) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL155013 0.78 GABRA1 (0.70) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL18388850 0.75 PARP1 (0.58) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL12722533 0.75 MAPT (0.59) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3121586 0.75 CA12 (0.56) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL675110 0.74 ADORA2A (0.45) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL6508875 0.74 CA12 (0.55) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL676126 0.74 KIF11 (0.51) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL676125 0.73 GRIN2D (0.45) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL675071 0.72 KIF11 (0.58) ADORA2AADORA1MAPTALDH1A1MEN1

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 3 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-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 ADORA2A 4167/4885ADORA1 3186/4885MAPT 1494/4885

“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.