SCHEMBL647613

SCHEMBL647613

CCc1cc2c([nH]c3cc(O)ccc32)c(C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.55
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 5/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAOA P21397 6/20 0.41
▸ HSD17B10 Q99714 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLI1 P08151 1/20 0.38
▸ GLI2 P10070 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ CASP1 P29466 3/20 0.38
▸ CASP7 P55210 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ BRCA1 P38398 2/20 0.38

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
SCHEMBL8852559 0.89 DYRK1A (0.53) DYRK1AKDM4EALDH1A1HPGDGLA
SCHEMBL646288 0.87 DYRK1A (0.51) DYRK1AKDM4EALDH1A1HPGDGLA
SCHEMBL30939970 0.82 DYRK1A (0.49) DYRK1AKDM4EALDH1A1HPGDGLA
SCHEMBL16123492 0.82 DYRK1A (0.49) DYRK1AKDM4EALDH1A1HPGDGLA
SCHEMBL29817742 0.81 MAPT (0.53) DYRK1AKDM4EALDH1A1HPGDMAOA
SCHEMBL16123486 0.79 KDM4E (0.47) DYRK1AKDM4EALDH1A1HPGDGLA
SCHEMBL16123491 0.77 DYRK1A (0.55) DYRK1AKDM4EALDH1A1HPGDGLA
SCHEMBL30939928 0.73 CCNB2 (0.68) DYRK1AKDM4EALDH1A1HPGDMAOA
SCHEMBL177685 0.73 CCNB2 (0.68) DYRK1AKDM4EALDH1A1HPGDMAOA
Hydrochloric Acid SCHEMBL647417 0.72 CCNB2 (0.66) DYRK1AKDM4EALDH1A1HPGDMAOA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591738-A Method of treating chemical dependency using β-carboline alkaloids, derivatives and salts thereof NDA INTERNATIONAL, INC. (US) 1997-01-07 — — US claimed
US-20150152187-A1 Anti-PSMA Antibodies Conjugated to Nuclear Receptor Ligand Polypeptides AMBRX, INC. (US) 2015-06-04 — — US disclosed
CN-104619350-A Anti-psma antibodies conjugated to nuclear receptor ligand polypeptides AMBRX INC 2015-05-13 — — CN disclosed
EP-2861259-A1 ANTI-PSMA ANTIBODIES CONJUGATED TO NUCLEAR RECEPTOR LIGAND POLYPEPTIDES Ambrx, Inc. (US) 2015-04-22 — — EP disclosed
WO-2013188740-A1 ANTI-PSMA ANTIBODIES CONJUGATED TO NUCLEAR RECEPTOR LIGAND POLYPEPTIDES AMBRX, INC. (US) 2013-12-19 — — WO disclosed
US-8580773-B2 Small-molecule inhibitors of the androgen receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-12 — — US disclosed
US-20130096095-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-18 — — US disclosed
US-8354538-B2 Small-molecule inhibitors of the androgen receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-15 — — US disclosed
US-8119660-B2 Small-molecule inhibitors of the androgen receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 — — US disclosed
US-20110224253-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-15 — — US disclosed
EP-2276345-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR The Regents of the University of California (US) 2011-01-26 — — EP disclosed
US-20100168128-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-01 — — US disclosed
US-7696227-B2 Small-molecule inhibitors of the androgen receptor REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-13 — — US disclosed
WO-2009132307-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-29 — — WO disclosed
US-20080293766-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-27 — — US disclosed
WO-2008128100-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-23 — — WO disclosed
US-5591738-A Method of treating chemical dependency using β-carboline alkaloids, derivatives and salts thereof NDA INTERNATIONAL, INC. (US) 1997-01-07 — — US 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 (5 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-20130096095-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, NR5A1, CYP17A1 DYRK1A 2516/4885KDM4E 763/4885ALDH1A1 1274/4885
US-20150152187-A1 Anti-PSMA Antibodies Conjugated to Nuclear Receptor Ligand Polypeptides AR, PSMA1, NR2E3 DYRK1A 4408/4885KDM4E 3840/4885ALDH1A1 2752/4885
US-20100168128-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, GNRHR, FSHR DYRK1A 3694/4885KDM4E 3293/4885ALDH1A1 987/4885
US-20080293766-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, GNRHR, FSHR DYRK1A 3694/4885KDM4E 3293/4885ALDH1A1 987/4885
US-20110224253-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, NR5A1, CYP17A1 DYRK1A 2516/4885KDM4E 763/4885ALDH1A1 1274/4885

“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.

Send feedback