SCHEMBL676456

SCHEMBL676456

CCCC#Cc1ccc2[nH]c3nccc(Cl)c3c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.45
ALK Q9UM73 4/20 0.44
AURKA O14965 2/20 0.39
AURKB Q96GD4 1/20 0.39
PTK6 Q13882 4/20 0.34
EGFR P00533 4/20 0.34
IGF1R P08069 2/20 0.34
ERBB2 P04626 2/20 0.34
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL3425228 0.86 ALK (0.38) UTS2RALKAURKAAURKB
SCHEMBL676246 0.80 AURKA (0.49) UTS2RALKAURKAAURKBPTK6
SCHEMBL676347 0.79 UTS2R (0.38) UTS2RAURKBEGFRCYP2D6HRH3
SCHEMBL676829 0.77 CHRNB2 (0.36) UTS2RAURKBEGFRCYP2D6HRH3
SCHEMBL675083 0.74 ALK (0.45) UTS2RALKAURKAAURKBPTK6
SCHEMBL675411 0.72 UTS2R (0.52) UTS2RALKAURKAAURKBEGFR
SCHEMBL675463 0.72 ALK (0.41) UTS2RALKAURKAAURKBPTK6
SCHEMBL4958483 0.71 ALK (0.51) UTS2RALKAURKAAURKBPTK6
SCHEMBL675163 0.70 PTK6 (0.59) UTS2RALKAURKAAURKBPTK6
SCHEMBL4961143 0.70 EGFR (0.55) UTS2RALKAURKAAURKBPTK6

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 UTS2R 4708/4885ALK 1/4885AURKA 1772/4885

“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.