SCHEMBL676471

SCHEMBL676471

NCCCCCc1ccnc2[nH]c3ccc(-c4ccc(N5CCOCC5)cn4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.45
SYK P43405 4/20 0.42
JAK2 O60674 1/20 0.41
KDR P35968 1/20 0.41
MAPT P10636 1/20 0.40
CHEK1 O14757 1/20 0.39

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
SCHEMBL3724154 0.90 ALK (0.47) ALKJAK2MAPT
SCHEMBL676452 0.83 CHEK1 (0.47) ALKSYKKDRMAPTCHEK1
SCHEMBL676884 0.83 SYK (0.42) ALKSYKJAK2KDRMAPT
SCHEMBL675294 0.81 ALK (0.58) ALKJAK2MAPTCHEK1
SCHEMBL3671085 0.81 ALK (0.63) ALKJAK2MAPTCHEK1
SCHEMBL675458 0.80 JAK2 (0.51) ALKJAK2CHEK1
SCHEMBL676470 0.77 ALK (0.45) ALKJAK2
SCHEMBL676472 0.77 ALK (0.41) ALKJAK2MAPTCHEK1
SCHEMBL676885 0.76 CHEK1 (0.41) ALKSYKJAK2KDRMAPT
SCHEMBL3726313 0.75 ALK (0.50) ALK

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 1/4885SYK 42/4885JAK2 201/4885

“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.