SCHEMBL5758129

SCHEMBL5758129

COc1cccc(-n2c(=O)[nH]c(=O)n(Cc3c(F)cccc3F)c2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 13/20 0.59
ADORA2A P29274 6/20 0.56
ADORA1 P30542 6/20 0.56
NTRK1 P04629 1/20 0.55
IGF1R P08069 1/20 0.55
FGFR1 P11362 1/20 0.55
NTRK2 Q16620 1/20 0.55

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
SCHEMBL5754941 0.81 GNRHR (0.65) GNRHRADORA2AADORA1
SCHEMBL5754581 0.81 GNRHR (0.64) GNRHRADORA2AADORA1
SCHEMBL5755646 0.80 GNRHR (0.59) GNRHR
SCHEMBL5755656 0.79 NTRK1 (0.58) NTRK1IGF1RFGFR1NTRK2
SCHEMBL6615473 0.79 GNRHR (0.59) GNRHRADORA2AADORA1
SCHEMBL5757060 0.74 GNRHR (1.00) GNRHR
SCHEMBL5756644 0.74 GNRHR (1.00) GNRHR
SCHEMBL5756641 0.74 GNRHR (1.00) GNRHR
SCHEMBL13966235 0.73 ADORA2A (0.76) GNRHRADORA2AADORA1
SCHEMBL4516918 0.72 ADORA2A (1.00) ADORA2AADORA1

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 1/4885ADORA2A 386/4885ADORA1 332/4885
US-20040162290-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885ADORA2A 386/4885ADORA1 332/4885

“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.