SCHEMBL17014791

SCHEMBL17014791

c1cncc(-c2csc(-c3c[nH]c4ccccc34)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
RAB9A P51151 7/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
MAPT P10636 6/20 0.67
NPC1 O15118 6/20 0.65
KDM4E B2RXH2 5/20 0.65
GAA P10253 1/20 0.65
CYP19A1 P11511 9/20 0.62
HPGD P15428 2/20 0.61
LMNA P02545 1/20 0.61
AXL P30530 1/20 0.61
PBRM1 Q86U86 1/20 0.61
MKNK1 Q9BUB5 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
ALDH1A1 P00352 2/20 0.58
AR P10275 1/20 0.57
CDK1 P06493 1/20 0.57
CCNB1 P14635 1/20 0.57
GSK3B P49841 1/20 0.57

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
SCHEMBL14758315 0.91 RAB9A (0.77) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL17014779 0.87 KMT2A (0.82) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL19059522 0.82 MEN1 (0.78) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL7268274 0.82 CYP19A1 (0.51) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL29563549 0.80 GSK3B (0.76) GSK3BHSD17B10
SCHEMBL7811875 0.80 GSK3B (0.76) GSK3BHSD17B10
SCHEMBL16496394 0.80 KMT2A (1.00) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL17243087 0.80 MEN1 (0.84) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL17014731 0.79 AR (0.83) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL5768166 0.79 IDO1 (0.66) RAB9ANPC1KDM4ECYP19A1AXL

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 3 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-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 MEN1 4500/4885KMT2A 2334/4885RAB9A 4667/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB MEN1 3749/4885KMT2A 2011/4885RAB9A 4089/4885

“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.