SCHEMBL3971002

SCHEMBL3971002

O=C(c1nnccc1C(F)(F)F)C(Br)Br

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.42
SSTR4 P31391 1/20 0.32
CFTR P13569 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL31445147 0.79 KMO (0.36) SSTR4CNR2
SCHEMBL16346446 0.77 KMT2A (0.36) SSTR4CNR2
SCHEMBL3971849 0.77 KIF11 (0.36) SSTR4CNR2
SCHEMBL34471563 0.68 KMO (0.35) SSTR4
SCHEMBL22585349 0.66 NOTUM (0.32) SSTR4
SCHEMBL669116 0.66 NOTUM (0.32) SSTR4
SCHEMBL34471556 0.65 DHODH (0.43)
SCHEMBL3396782 0.65 LMNA (0.55) GSK3BCNR2
SCHEMBL30427548 0.64 RXRA (0.41) SSTR4
SCHEMBL17665467 0.64 RXRA (0.41) SSTR4

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-1841430-A4 SUBSTITUTED PYRIDAZINYL-AND PYRIMIDINYL-QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORP (US) 2009-07-29 EP disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
EP-1841430-A2 SUBSTITUTED PYRIDAZINYL-AND PYRIMIDINYL-QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2007-10-10 EP disclosed
WO-2006081388-A2 SUBSTITUTED PYRIDAZINYL-AND PYRIMIDINYL-QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-08-03 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-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues PIGS, HRH4, GPR68 GSK3B 4508/4885SSTR4 658/4885CFTR 1035/4885

“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.