SCHEMBL676245

SCHEMBL676245

Clc1ccnc2[nH]c3ccc(-c4ccc(-c5ccccc5)cc4)cc3c12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.62
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
PTK6 Q13882 1/20 0.43

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
SCHEMBL675430 0.84 ALK (0.70) ALK
SCHEMBL3668987 0.83 ALK (0.61) ALKPTK6
SCHEMBL27841170 0.81 ALK (0.50) ALKAURKAAURKBPTK6
SCHEMBL675939 0.81 ALK (0.56) ALKAURKAAURKBPTK6
SCHEMBL676261 0.81 ALK (0.52) ALKAURKAAURKBPTK6
SCHEMBL675631 0.79 AURKA (0.68) ALKAURKAAURKBPTK6
SCHEMBL31240940 0.79 AURKA (0.68) ALKAURKAAURKBPTK6
SCHEMBL676246 0.79 AURKA (0.49) ALKAURKAAURKBPTK6
SCHEMBL3669223 0.79 ALK (0.56) ALKAURKAAURKBPTK6
SCHEMBL675503 0.79 AURKA (0.49) ALKAURKAAURKBPTK6

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 1/4885AURKA 1772/4885AURKB 1300/4885

“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.