SCHEMBL674941

SCHEMBL674941

CCCC(N)Cc1ccc2c(n1)[nH]c1ccc(-c3ccc(OC)cc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
ADORA1 P30542 1/20 0.35
BCHE P06276 1/20 0.34
HRH4 Q9H3N8 2/20 0.34

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
SCHEMBL676203 0.88 GSK3B (0.37) ALKROCK2BCHE
SCHEMBL675671 0.87 ALK (0.37) ALKMEN1ALDH1A1KMT2AKDM4E
SCHEMBL675726 0.86 ALK (0.39) ALKPRKAG1PRKAA1PRKAB1ROCK2
SCHEMBL3722843 0.85 ATM (0.40) ALDH1A1KDM4EMAOAACHESMN1; SMN2
SCHEMBL3426135 0.84 HRH3 (0.39) ACHEHRH3
SCHEMBL3730842 0.83 TLR8 (0.41) ALKHRH4NPC1RAB9A
SCHEMBL676482 0.81 ALK (0.38) ALKPRKAG1PRKAA1PRKAB1ROCK2
SCHEMBL3724896 0.81 CCNB2 (0.44) ALKPRKAG1PRKAA1PRKAB1MEN1
SCHEMBL675790 0.80 GABRA1 (0.39) ALKHRH4HRH3
SCHEMBL674938 0.79 ALK (0.38) ALKPRKAG1PRKAA1PRKAB1ROCK2

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 ALK 1/4885PRKAG1 473/4885PRKAA1 685/4885

“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.