SCHEMBL6077653

SCHEMBL6077653

Cn1c(=O)cc(C(F)(F)F)c2cc(N)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.52
BRPF1 P55201 1/20 0.50
PGR P06401 7/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SRC P12931 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TLR9 Q9NR96 1/20 0.45
NR3C1 P04150 1/20 0.43
NR3C2 P08235 1/20 0.43
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL31331699 0.87 AR (0.53) ARBRPF1PGRGAAKDM4E
SCHEMBL21957297 0.82 AR (0.50) ARPGRATMNR3C1NR3C2
SCHEMBL21978549 0.81 AR (0.49) ARPGRNR3C1NR3C2
SCHEMBL6023005 0.79 PIK3CG (0.57) ARPGRALDH1A1NR3C1NR3C2
SCHEMBL21957305 0.78 AR (0.54) ARPGRGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4179555 0.78 AR (0.47) ARBRPF1GAAKDM4EMEN1
SCHEMBL30349904 0.78 NQO2 (0.61) BRPF1GAAKDM4EMEN1ALDH1A1
SCHEMBL17576254 0.78 NQO2 (0.61) BRPF1GAAKDM4EMEN1ALDH1A1
SCHEMBL30901341 0.78 KDM4E (0.61) ARPGRKDM4EHPGDATM
SCHEMBL5865925 0.78 KDM4E (0.61) ARPGRKDM4EHPGDATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 US disclosed
EP-3189037-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL Business PLC (GB) 2017-07-12 EP disclosed
WO-2016034512-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2016-03-10 WO disclosed
US-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
EP-1603882-A2 UREA AND THIOUREA DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP disclosed
US-20040266820-A1 Urea and thiourea derivatives DU DANIEL Y (US) 2004-12-30 US disclosed
WO-2004072044-A2 UREA AND THIOUREA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 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-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS BRD4, BRPF3, BRD3 AR 4027/4885BRPF1 104/4885PGR 4590/4885
US-20040266820-A1 Urea and thiourea derivatives SHBG, ZP1, ZYX AR 25/4885BRPF1 2379/4885PGR 1108/4885

“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.