SCHEMBL676701

SCHEMBL676701

CCCCCC=Cc1ccnc2[nH]c3ccc(-c4ccc(OCCCN(CC)CC)cc4)cc3c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.49
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ACHE P22303 2/20 0.37
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36

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
SCHEMBL676700 1.00 ALK (0.49) ALKESR1ESR2HRH3ACHE
SCHEMBL675900 0.92 ALK (0.50) ALK
SCHEMBL675901 0.92 ALK (0.50) ALK
SCHEMBL676199 0.86 ALK (0.66) ALK
SCHEMBL676198 0.86 ALK (0.66) ALK
SCHEMBL3434725 0.84 ALK (0.55) ALK
SCHEMBL3434722 0.84 ALK (0.55) ALK
SCHEMBL3725535 0.83 ESR1 (0.39) ESR1ESR2HRH3ACHEATP4A
SCHEMBL3725532 0.83 ESR1 (0.39) ESR1ESR2HRH3ACHEATP4A
SCHEMBL3735322 0.83 ALK (0.58) 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 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 ALK 1/4885ESR1 1837/4885ESR2 934/4885

“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.