SCHEMBL675294

SCHEMBL675294

c1cc(-c2ccc(N3CCOCC3)cn2)c2c(n1)[nH]c1ccc(-c3ccc(N4CCOCC4)cn3)cc12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.58
JAK2 O60674 1/20 0.46
TBK1 Q9UHD2 1/20 0.45
CHEK1 O14757 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL3671085 0.89 ALK (0.63) ALKJAK2CHEK1MAPT
SCHEMBL3724154 0.82 ALK (0.47) ALKJAK2MAPT
SCHEMBL676471 0.81 ALK (0.45) ALKJAK2CHEK1MAPT
SCHEMBL674333 0.81 MAPT (0.53) ALKJAK2CHEK1MAPT
SCHEMBL675791 0.80 CHEK1 (0.55) ALKJAK2CHEK1MAPT
SCHEMBL676470 0.80 ALK (0.45) ALKJAK2
SCHEMBL13464041 0.79 CHEK1 (0.54) ALKJAK2TBK1CHEK1MAPT
SCHEMBL3726313 0.79 ALK (0.50) ALK
SCHEMBL3726310 0.79 ALK (0.50) ALK
SCHEMBL3666284 0.78 MAPT (0.48) ALKJAK2CHEK1MAPT

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 1/4885JAK2 201/4885TBK1 227/4885

“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.