SCHEMBL676130

SCHEMBL676130

c1coc(-c2ccc3c(n2)[nH]c2ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.51
ADORA3 P0DMS8 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 7/20 0.42
HPGD P15428 5/20 0.42
ELANE P08246 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 7/20 0.42
POLB P06746 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 3/20 0.42
ALOX15 P16050 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42

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
SCHEMBL676127 0.83 GABRA1 (0.45) ADORA3GSK3AGSK3BMAPT
SCHEMBL31463339 0.76 CA5A (0.59) CA5AKDM4EALDH1A1HPGDMAPT
SCHEMBL469192 0.76 CA5A (0.59) CA5AKDM4EALDH1A1HPGDMAPT
SCHEMBL22268360 0.72 CA5A (0.54) CA5AALDH1A1MAPTHSD17B10
SCHEMBL674445 0.71 CA5A (0.53) CA5AALDH1A1MAPTPOLBHSD17B10
SCHEMBL678777 0.71 CA5A (0.53) CA5AADORA3CTSVCTSLKDM4E
SCHEMBL675112 0.71 MMP2 (0.52) ADORA3CTSVCTSLKDM4EALDH1A1
SCHEMBL668576 0.70 ALK (0.47) ADORA3CTSVCTSLGSK3BPDE3B
SCHEMBL19270251 0.69 CA5A (0.47) CA5AKDM4EALDH1A1HPGDMAPT
SCHEMBL23319574 0.68 CA5A (0.62) CA5AKDM4EALDH1A1HPGDMAPT

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 CA5A 1904/4885ADORA3 4041/4885CTSV 3272/4885

“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.