SCHEMBL17014786

SCHEMBL17014786

c1cncc(-c2csc(-c3ccncc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 1.00
RAB9A P51151 2/20 0.87
NPC1 O15118 1/20 0.87
AXL P30530 1/20 0.87
PBRM1 Q86U86 1/20 0.87
MKNK1 Q9BUB5 1/20 0.87
MKNK2 Q9HBH9 1/20 0.87
KDM4E B2RXH2 3/20 0.76
ALDH1A1 P00352 1/20 0.76
AR P10275 1/20 0.72
KMT2A Q03164 1/20 0.72
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
HPGDS O60760 1/20 0.64

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
SCHEMBL6649362 0.93 CYP19A1 (0.87) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL30128572 0.93 CYP19A1 (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL19051411 0.93 CYP19A1 (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL6196239 0.93 CYP19A1 (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL27922657 0.87 CYP19A1 (0.77) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL7495850 0.86 RAB9A (1.00) CYP19A1RAB9ANPC1AXLPBRM1
Hydrochloric Acid SCHEMBL11452940 0.85 RAB9A (0.97) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL13480645 0.84 KDM4E (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL68135 0.84 KDM4E (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL7220996 0.84 RAB9A (0.76) CYP19A1RAB9ANPC1AXLPBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 US disclosed
WO-2015120543-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAIN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-08-20 WO 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 (2 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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 CYP19A1 6/4885RAB9A 4667/4885NPC1 2934/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB CYP19A1 31/4885RAB9A 4089/4885NPC1 1960/4885

“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.