SCHEMBL677326

SCHEMBL677326

CCCCC/C=C/c1ccc2c(n1)[nH]c1ccc(-c3ccco3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRA4 P48169 1/20 0.36
FAAH O00519 1/20 0.35
CNR1 P21554 4/20 0.35
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
GPR17 Q13304 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL677327 1.00 CNR2 (0.41) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL675137 0.85 ALK (0.37) CYP2D6
SCHEMBL675136 0.85 ALK (0.37) CYP2D6
SCHEMBL3725300 0.82 GABRA1 (0.42) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL3725298 0.82 GABRA1 (0.42) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL3732265 0.81 CNR2 (0.43) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL676627 0.80 ALK (0.45) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL676628 0.80 ALK (0.45) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL677169 0.80 ALK (0.42) CNR2CNR1CCNE1CDK2
SCHEMBL677168 0.80 ALK (0.42) CNR2CNR1CCNE1CDK2

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 CNR2 965/4885GABRA1 1267/4885GABRG2 1007/4885

“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.