SCHEMBL676246

SCHEMBL676246

Clc1ccnc2[nH]c3ccc(C#Cc4ccccc4)cc3c12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
AURKB Q96GD4 1/20 0.49
ALK Q9UM73 5/20 0.46
GRM4 Q14833 3/20 0.46
PTK6 Q13882 6/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 3/20 0.39
UTS2R Q9UKP6 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
SCHEMBL676456 0.80 UTS2R (0.45) AURKAAURKBALKPTK6EGFR
SCHEMBL676245 0.79 ALK (0.62) AURKAAURKBALKPTK6
SCHEMBL675463 0.78 ALK (0.41) AURKAAURKBALKPTK6EGFR
SCHEMBL675083 0.78 ALK (0.45) AURKAAURKBALKPTK6ERBB2
SCHEMBL674645 0.77 JAK2 (0.43) GRM4IP6K1IP6K3IP6K2EGFR
SCHEMBL676137 0.76 AURKA (0.50) AURKAAURKBALKPTK6ERBB2
SCHEMBL675631 0.76 AURKA (0.68) AURKAAURKBALKPTK6EGFR
SCHEMBL31240940 0.76 AURKA (0.68) AURKAAURKBALKPTK6EGFR
SCHEMBL3669223 0.76 ALK (0.56) AURKAAURKBALKPTK6IP6K1
SCHEMBL675503 0.76 AURKA (0.49) AURKAAURKBALKPTK6IP6K1

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 4 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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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 AURKA 1772/4885AURKB 1300/4885ALK 1/4885

“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.