SCHEMBL17014785

SCHEMBL17014785

CC(C)C(=O)Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.68
GSTO1 P78417 1/20 0.63
CCNE1 P24864 4/20 0.62
CDK2 P24941 4/20 0.62
CDK5 Q00535 4/20 0.62
SCD O00767 1/20 0.62
FFAR2 O15552 1/20 0.60
ACP1 P24666 1/20 0.59
CNR1 P21554 1/20 0.58
MKNK1 Q9BUB5 1/20 0.57
LIMK1 P53667 1/20 0.56
MEN1 O00255 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.52
WNT3A P56704 1/20 0.50

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
SCHEMBL5840422 0.84 KDR (0.72) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL25682655 0.84 KDR (0.67) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL2256136 0.81 KDR (0.72) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL10252594 0.81 KDR (1.00) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL28854662 0.81 RAB9A (0.68) CCNE1CDK2CDK5SCDMEN1
SCHEMBL24953824 0.79 CCNE1 (0.52) KDRCCNE1CDK2CDK5FFAR2
SCHEMBL21962875 0.79 CCNE1 (0.66) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL6281775 0.79 CNR1 (0.82) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL69753 0.79 CCNE1 (0.74) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL5835618 0.78 CCNE1 (0.69) KDRGSTO1CCNE1CDK2CDK5

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 KDR 743/4885GSTO1 2461/4885CCNE1 217/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB KDR 449/4885GSTO1 3916/4885CCNE1 1092/4885

“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.