SCHEMBL4885448

SCHEMBL4885448

CONC(=O)Nc1ccc(-c2sc3c(c2C[N+](C)C)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.77
KCNH2 Q12809 3/20 0.66

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
SCHEMBL12122373 0.92 GNRHR (0.80) GNRHRKCNH2
SCHEMBL779750 0.91 GNRHR (0.79) GNRHRKCNH2
SCHEMBL778208 0.90 GNRHR (0.78) GNRHRKCNH2
SCHEMBL4885456 0.90 GNRHR (0.86) GNRHRKCNH2
Sufugolix SCHEMBL209021 0.87 GNRHR (1.00) GNRHR
Sufugolix SCHEMBL4251869 0.86 GNRHR (0.99) GNRHR
SCHEMBL778213 0.86 GNRHR (0.72) GNRHRKCNH2
SCHEMBL777399 0.86 GNRHR (0.72) GNRHRKCNH2
SCHEMBL777398 0.86 GNRHR (0.72) GNRHRKCNH2
SCHEMBL6642419 0.86 GNRHR (1.00) GNRHRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108623-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 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 (1 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-20080108623-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent GNRHR, KISS1R, FSHR GNRHR 1/4885KCNH2 588/4885

“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.