SCHEMBL5756641

SCHEMBL5756641

COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 1.00

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
SCHEMBL5757060 1.00 GNRHR (1.00) GNRHR
SCHEMBL5756644 1.00 GNRHR (1.00) GNRHR
SCHEMBL5760626 0.93 GNRHR (0.88) GNRHR
SCHEMBL5756746 0.92 GNRHR (0.84) GNRHR
SCHEMBL5756511 0.91 GNRHR (0.84) GNRHR
SCHEMBL5760514 0.91 GNRHR (0.83) GNRHR
SCHEMBL5756208 0.88 GNRHR (0.79) GNRHR
SCHEMBL5756409 0.83 GNRHR (0.71) GNRHR
SCHEMBL5756131 0.83 GNRHR (1.00) GNRHR
SCHEMBL5754244 0.83 GNRHR (1.00) 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 4 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
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

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 1/4885
US-20040162290-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885

“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.