SCHEMBL3274960

SCHEMBL3274960

C[C@H]1CN(c2cccc3[nH]c(-c4ccc(S(C)(=O)=O)cc4)nc23)CCN1Cc1cn(CC(N)=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 16/20 0.44
PRKCZ Q05513 2/20 0.38
PARP1 P09874 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
CLK2 P49760 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2D Q13557 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIM3 Q86V86 1/20 0.36
AURKB Q96GD4 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
STK17A Q9UEE5 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36

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
SCHEMBL5251579 0.89 GNRHR (0.43) GNRHRPRKCZPARP1PRKD3MAP4K4
SCHEMBL3282445 0.88 GNRHR (0.57) GNRHR
SCHEMBL3276414 0.88 GNRHR (0.47) GNRHRPRKCZPRKD3MAP4K4PIM1
SCHEMBL3275136 0.77 GNRHR (0.61) GNRHR
SCHEMBL3275020 0.77 GNRHR (0.73) GNRHR
SCHEMBL3275064 0.76 GNRHR (0.59) GNRHRPRKCZ
SCHEMBL3278698 0.76 GNRHR (0.61) GNRHRPRKCZ
SCHEMBL3275559 0.75 GNRHR (0.61) GNRHR
SCHEMBL3281184 0.72 GNRHR (0.64) GNRHR
SCHEMBL3274291 0.69 GNRHR (0.64) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP claimed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US claimed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO claimed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 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 (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-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR GNRHR 1/4885PRKCZ 3571/4885PARP1 3953/4885

“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.