SCHEMBL676639

SCHEMBL676639

CCCCC/C=C/c1ccnc2[nH]c3ccc(/C=C/c4ccccc4)cc3c12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.56
UTS2R Q9UKP6 4/20 0.40
MAPKAPK2 P49137 1/20 0.37
IP6K1 Q92551 1/20 0.37

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
SCHEMBL676640 1.00 ALK (0.56) ALKUTS2RMAPKAPK2IP6K1
SCHEMBL675854 0.90 ALK (0.56) ALKUTS2R
SCHEMBL3735321 0.86 ALK (0.58) ALK
SCHEMBL3735322 0.86 ALK (0.58) ALK
SCHEMBL676447 0.84 ALK (0.77) ALKIP6K1
SCHEMBL3723579 0.82 ALK (0.37) ALKMAPKAPK2IP6K1
SCHEMBL3723581 0.82 ALK (0.37) ALKMAPKAPK2IP6K1
SCHEMBL3727398 0.82 ALK (0.47) ALKUTS2RMAPKAPK2IP6K1
SCHEMBL3727396 0.82 ALK (0.47) ALKUTS2RMAPKAPK2IP6K1
SCHEMBL676627 0.79 ALK (0.45) ALKUTS2R

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 1/4885UTS2R 4708/4885MAPKAPK2 2823/4885

“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.