SCHEMBL17014792

SCHEMBL17014792

Nc1ccccc1-c1nc(-c2cccnc2)cs1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.70
RAB9A P51151 3/20 0.70
NPC1 O15118 2/20 0.70
AXL P30530 1/20 0.69
PBRM1 Q86U86 1/20 0.69
MKNK1 Q9BUB5 1/20 0.69
MKNK2 Q9HBH9 1/20 0.69
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
TDP1 Q9NUW8 1/20 0.60
HPGDS O60760 1/20 0.57
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP1B1 Q16678 1/20 0.56

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
SCHEMBL19051355 0.85 CYP19A1 (0.79) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL27922656 0.85 CYP19A1 (0.64) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL207818 0.85 CYP19A1 (0.64) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL1206446 0.84 ALDH1A1 (0.61) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL30128572 0.83 CYP19A1 (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL19051411 0.83 CYP19A1 (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL6196239 0.82 CYP19A1 (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL30263343 0.81 CYP19A1 (0.63) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL717060 0.80 CYP19A1 (0.66) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL7495850 0.80 RAB9A (1.00) 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.