SCHEMBL6476891

SCHEMBL6476891

O=c1[nH]c(=O)n(-c2ccccc2)nc1Cc1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
GNRHR P30968 2/20 0.42
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP2 O95551 1/20 0.35
P2RX7 Q99572 1/20 0.35
HPGD P15428 2/20 0.35
DAO P14920 1/20 0.35
MAPK1 P28482 1/20 0.35
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
MAPK14 Q16539 1/20 0.34
ATM Q13315 1/20 0.34
ADORA3 P0DMS8 3/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6486258 0.86 GNRHR (0.50) ARGNRHRKMT2AKDM4EDAO
SCHEMBL6476570 0.70 AR (0.53) ARGNRHRL3MBTL1ALDH1A1GAA
SCHEMBL6477086 0.68 AR (0.51) ARGNRHRHSD17B10L3MBTL1HPGD
SCHEMBL15871236 0.68 HPGD (0.56) KMT2AKDM4EHSD17B10L3MBTL1HPGD
SCHEMBL5846631 0.66 MAPT (0.56) KMT2AKDM4EL3MBTL1HPGDMAPK1
SCHEMBL5847585 0.65 BCAT1 (0.56) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL6476149 0.65 ALDH1A1 (0.43) KMT2AKDM4EL3MBTL1MAPK14ALDH1A1
SCHEMBL31585569 0.65 ADORA3 (0.43) KDM4EHSD17B10TDP2HPGDMAPK1
SCHEMBL31585354 0.65 TDP2 (0.44) KMT2AKDM4EHSD17B10L3MBTL1TDP2
SCHEMBL11168721 0.65 ALDH1A1 (0.47) KMT2AKDM4EHSD17B10L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951858-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
EP-1414808-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-05-06 EP disclosed
US-6673796-B2 SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-19 US disclosed
WO-2003011841-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2003-02-13 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-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR AR 57/4885GNRHR 1/4885KMT2A 2539/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR AR 50/4885GNRHR 1/4885KMT2A 1604/4885

“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.