SCHEMBL676529

SCHEMBL676529

CCCCC/C=C/c1ccc2c(n1)[nH]c1ccc(-c3ccc(OCCCN(CC)CC)cc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MCHR1 Q99705 2/20 0.38
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37
AGER Q15109 2/20 0.37
HRH3 Q9Y5N1 3/20 0.37
ACHE P22303 2/20 0.37

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
SCHEMBL676530 1.00 ATP4A (0.38) ATP4AATP4BESR1ESR2MCHR1
SCHEMBL676333 0.92 ATM (0.40) ESR1ESR2DRD2DRD3
SCHEMBL676334 0.92 ATM (0.40) ESR1ESR2DRD2DRD3
SCHEMBL677168 0.85 ALK (0.42)
SCHEMBL677169 0.85 ALK (0.42)
SCHEMBL3725535 0.85 ESR1 (0.39) ATP4AATP4BESR1ESR2MCHR1
SCHEMBL3725532 0.85 ESR1 (0.39) ATP4AATP4BESR1ESR2MCHR1
SCHEMBL3432176 0.84 DRD3 (0.43) DRD3AGERHRH3
SCHEMBL3432174 0.84 DRD3 (0.43) DRD3AGERHRH3
SCHEMBL3433146 0.83 ATP4A (0.41) ATP4AATP4BDRD2DRD3AGER

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 ATP4A 2256/4885ATP4B 2429/4885ESR1 1837/4885

“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.