SCHEMBL5756741

SCHEMBL5756741

COc1cccc(-n2c(=O)n(Cc3ccccc3C(F)(F)F)c(=O)n(CC(N)c3ccccc3)c2=O)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.68
CYP3A4 P08684 1/20 0.49

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
SCHEMBL6625868 0.90 GNRHR (0.83) GNRHRCYP3A4
SCHEMBL5760325 0.89 GNRHR (0.84) GNRHRCYP3A4
SCHEMBL5760806 0.88 GNRHR (0.83) GNRHR
SCHEMBL5756674 0.88 GNRHR (0.83) GNRHR
SCHEMBL5757259 0.85 GNRHR (0.61) GNRHRCYP3A4
SCHEMBL5757997 0.84 GNRHR (0.66) GNRHRCYP3A4
SCHEMBL5756322 0.84 GNRHR (0.82) GNRHR
SCHEMBL5759024 0.83 GNRHR (0.82) GNRHR
SCHEMBL5758684 0.83 GNRHR (0.69) GNRHR
SCHEMBL5754575 0.83 GNRHR (0.70) GNRHR

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
EP-1412338-B1 1,3,5-TRIAZINE-2,4,6-TRIONES, PREPARATION AND USE AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2006-01-18 EP disclosed
US-20040162290-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-08-19 US disclosed
EP-1412338-A1 1,3,5-TRIAZINE-2,4,6-TRIONES, PREPARATION AND USE AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-04-28 EP disclosed
US-6677340-B2 ADMINISTERING HEXAHYDRO-1,3-5-TRIAZINE-2,4,6-TRIONE DERIVATIVE AS ANTICARCINOGENIC AGENT; BENIGN PROSTATIC HYPERPLASIA, SLEEP DISORDER TREATMENT NEUROCRINE BIOSCIENCES, INC. 2004-01-13 US disclosed
US-20030130282-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2003-07-10 US disclosed
WO-2003011839-A1 1,3,5-TRIAZINE-2,4,6-TRIONES, PREPARATION AND USE AS GONADOTROPIN-RELEASING HORMONE RECEPTOR 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-20030130282-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885CYP3A4 1088/4885
US-20040162290-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885CYP3A4 1088/4885

“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.