SCHEMBL675136

SCHEMBL675136

CCCCC/C=C/c1ccc2c(n1)[nH]c1ccc(-c3ccc(-c4ccccc4)cc3)cc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.37
TRIM58 Q8NG06 1/20 0.37
GSK3B P49841 2/20 0.36
GSK3A P49840 1/20 0.36
CYP2D6 P10635 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LTB4R Q15722 1/20 0.34
AXL P30530 1/20 0.34
DAGLA Q9Y4D2 1/20 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
SCHEMBL675137 1.00 ALK (0.37) ALKTRIM58GSK3BGSK3ACYP2D6
SCHEMBL677168 0.89 ALK (0.42) ALKGSK3BGSK3AKDM4ECYP1A2
SCHEMBL677169 0.89 ALK (0.42) ALKGSK3BGSK3AKDM4ECYP1A2
SCHEMBL676306 0.87 MAPKAPK2 (0.38) ALKCYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL676307 0.87 MAPKAPK2 (0.38) ALKCYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL676241 0.85 PGR (0.41) ALKMMP13
SCHEMBL676242 0.85 PGR (0.41) ALKMMP13
SCHEMBL677326 0.85 CNR2 (0.41) CYP2D6
SCHEMBL677327 0.85 CNR2 (0.41) CYP2D6
SCHEMBL676333 0.83 ATM (0.40) TRIM58KDM4E

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 1/4885TRIM58 1951/4885GSK3B 104/4885

“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.