SCHEMBL6486258

SCHEMBL6486258

O=c1[nH]c(=O)n(-c2ccccc2F)nc1Cc1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.50
AR P10275 1/20 0.47
ADORA3 P0DMS8 1/20 0.39
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DAO P14920 2/20 0.38
TNKS2 Q9H2K2 2/20 0.36
SCN9A Q15858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MGLL Q99685 1/20 0.34
MAPT P10636 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
SCHEMBL6476891 0.86 AR (0.47) GNRHRARADORA3DAOKDM4E
SCHEMBL6658181 0.72 ADORA3 (0.48) ADORA3NPSR1TNKS2ALDH1A1HCAR1
SCHEMBL7654345 0.70 GAA (0.40) ADORA3NPSR1TNKS2KDM4EALDH1A1
SCHEMBL9120934 0.70 MEN1 (0.39) ADORA3SCN9AKDM4EPOLBHCAR1
SCHEMBL6476552 0.67 GNRHR (1.00) GNRHR
SCHEMBL6476149 0.62 ALDH1A1 (0.43) NPSR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6476570 0.62 AR (0.53) GNRHRARALDH1A1POLB
SCHEMBL5905902 0.62 MEN1 (0.43) SCN9AHCAR1MEN1KMT2AMGLL
SCHEMBL5906106 0.62 MEN1 (0.47) SCN9AKDM4EALDH1A1HCAR1MEN1
SCHEMBL6476952 0.62 GRIA1 (0.43) ARTP53DAOALDH1A1MEN1

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 4 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
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

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 GNRHR 1/4885AR 57/4885ADORA3 146/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR GNRHR 1/4885AR 50/4885ADORA3 131/4885

“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.