SCHEMBL676628

SCHEMBL676628

CCCCCC=Cc1ccnc2[nH]c3ccc(-c4ccco4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.45
CNR2 P34972 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38

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
SCHEMBL676627 1.00 ALK (0.45) ALKCNR2UTS2RGABRA1GABRG2
SCHEMBL3735321 0.86 ALK (0.58) ALK
SCHEMBL3735322 0.86 ALK (0.58) ALK
SCHEMBL3725300 0.82 GABRA1 (0.42) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL3725298 0.82 GABRA1 (0.42) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL676199 0.81 ALK (0.66) ALK
SCHEMBL676198 0.81 ALK (0.66) ALK
SCHEMBL3723800 0.81 CNR2 (0.43) ALKCNR2UTS2RGABRA1GABRG2
SCHEMBL677326 0.80 CNR2 (0.41) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL677327 0.80 CNR2 (0.41) CNR2GABRA1GABRG2GABRB3GABRA5

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 1/4885CNR2 965/4885UTS2R 4708/4885

“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.