SCHEMBL4474200

SCHEMBL4474200

CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)nn2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
TRPV1 Q8NER1 6/20 0.40
PTGS1 P23219 3/20 0.40
GSK3B P49841 4/20 0.39
PTGER1 P34995 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL4478240 0.86 PTGS2 (0.56) PTGS2PTGS1GSK3BPKM
SCHEMBL4471819 0.84 PTGS2 (0.52) PTGS2PTGS1GSK3BPKM
SCHEMBL4480066 0.83 GSK3B (0.44) PTGS2PTGS1GSK3BPKM
SCHEMBL4482399 0.82 ALDH1A1 (0.42) PTGS2TRPV1PTGS1GSK3B
SCHEMBL4482406 0.82 ALDH1A1 (0.42) PTGS2TRPV1PTGS1GSK3B
SCHEMBL4474537 0.81 PTGS2 (0.41) PTGS2TRPV1PTGS1GSK3BPTGER1
SCHEMBL4472139 0.81 PTGS1 (0.58) PTGS2PTGS1GSK3BPTGER1
SCHEMBL4478445 0.72 DYRK1A (0.43) PTGS2
SCHEMBL17295125 0.72 SCN9A (0.44) GSK3B
SCHEMBL17290240 0.72 SCN9A (0.44) GSK3B

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
US-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP PTGS2 4182/4885TRPV1 4489/4885PTGS1 4101/4885

“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.