SCHEMBL678730

SCHEMBL678730

CCN(CC)CCCOc1ccc(-c2ccc3[nH]c4ncc(/C=C/c5ccccc5)cc4c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.48
BCHE P06276 5/20 0.47
ACHE P22303 5/20 0.47
ATP4A P20648 9/20 0.44
ATP4B P51164 9/20 0.44
MCHR1 Q99705 2/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42

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
SCHEMBL675815 1.00 ALK (0.48) ALKBCHEACHEATP4AATP4B
SCHEMBL3725532 0.86 ESR1 (0.39) ACHEATP4AATP4BMCHR1MAOA
SCHEMBL3725535 0.86 ESR1 (0.39) ACHEATP4AATP4BMCHR1MAOA
SCHEMBL13460975 0.86 ALK (0.48) ALK
SCHEMBL675132 0.84 ACHE (0.47) ACHEATP4AATP4B
SCHEMBL676194 0.83 ALK (0.67) ALKBCHE
SCHEMBL678727 0.83 ALK (0.67) ALKBCHE
SCHEMBL675816 0.83 HRH3 (0.42) BCHEACHEATP4AATP4B
SCHEMBL3433144 0.80 HRH3 (0.40) ACHEATP4AATP4BMCHR1
SCHEMBL3725897 0.78 LSS (0.39) ALKATP4AATP4BMAOA

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-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 1/4885BCHE 2019/4885ACHE 2545/4885

“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.