SCHEMBL675816

SCHEMBL675816

C=C(c1ccccc1)c1cnc2[nH]c3ccc(-c4ccc(OCCCN(CC)CC)cc4)cc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
ESR1 P03372 4/20 0.41
ATP4A P20648 3/20 0.40
ATP4B P51164 3/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
PTPN1 P18031 1/20 0.38
DRD3 P35462 3/20 0.37
KCNH2 Q12809 2/20 0.37
EBP Q15125 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CHRM2 P08172 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
CHRM1 P11229 2/20 0.37
PTGS1 P23219 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR6 P50406 2/20 0.37
SLC6A3 Q01959 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
SCHEMBL676195 0.83 ALK (0.48) BCHEKMT2AKDM4EMEN1MAPT
SCHEMBL678730 0.83 ALK (0.48) ATP4AATP4BBCHEACHE
SCHEMBL675815 0.83 ALK (0.48) ATP4AATP4BBCHEACHE
SCHEMBL675132 0.82 ACHE (0.47) HRH3ATP4AATP4BACHEPTPN1
SCHEMBL3433144 0.78 HRH3 (0.40) HRH3ATP4AATP4BACHEMAPT
SCHEMBL3423182 0.77 HRH3 (0.40) HRH3ATP4AATP4BACHEDRD3
SCHEMBL3423184 0.76 HRH3 (0.38) HRH3ATP4AATP4BACHEPTPN1
SCHEMBL13576306 0.76 BCHE (0.60) HRH3ESR1BCHEACHEDRD3
SCHEMBL3725535 0.75 ESR1 (0.39) HRH3ESR1ATP4AATP4BACHE
SCHEMBL3725532 0.75 ESR1 (0.39) HRH3ESR1ATP4AATP4BACHE

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 6 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP claimed
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 HRH3 485/4885ESR1 1837/4885ATP4A 2256/4885

“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.