SCHEMBL674243

SCHEMBL674243

O=[N+]([O-])c1ccc(-c2ccc3[nH]c4ncc(Cl)cc4c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA2 P47869 2/20 0.47
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
IDO1 P14902 1/20 0.43
EGFR P00533 1/20 0.42
IGF1R P08069 1/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 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
SCHEMBL676235 0.81 JAK2 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL13460985 0.81 JAK2 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL674242 0.81 ALDH1A1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL14594316 0.80 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL678785 0.80 DYRK1A (0.44) DYRK1ADYRK1B
SCHEMBL676125 0.80 GRIN2D (0.45) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL675939 0.79 ALK (0.56) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL14594324 0.78 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL14594310 0.77 ALDH1A1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL14594318 0.76 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA2

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 GABRA1 1267/4885GABRG2 1007/4885GABRB3 1343/4885

“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.