SCHEMBL4469574

SCHEMBL4469574

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.51
PTGS1 P23219 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GSK3B P49841 3/20 0.39
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4469564 1.00 PTGS2 (0.51) PTGS2PTGS1CYP1A2CYP2C19TDP1
SCHEMBL4467387 0.90 POLB (0.52) PTGS2PTGS1TDP1POLBMEN1
SCHEMBL4485374 0.90 POLB (0.52) PTGS2PTGS1TDP1POLBMEN1
SCHEMBL4464157 0.89 MAPT (0.45) PTGS2PTGS1CYP1A2CYP2C19TDP1
SCHEMBL4464159 0.89 MAPT (0.45) PTGS2PTGS1CYP1A2CYP2C19TDP1
SCHEMBL4482399 0.88 ALDH1A1 (0.42) PTGS2PTGS1TDP1POLBGSK3B
SCHEMBL4482406 0.88 ALDH1A1 (0.42) PTGS2PTGS1TDP1POLBGSK3B
SCHEMBL4475965 0.87 PTGS1 (0.53) PTGS2PTGS1TDP1POLBMEN1
SCHEMBL4475955 0.87 PTGS1 (0.53) PTGS2PTGS1TDP1POLBMEN1
SCHEMBL4479600 0.83 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP2C19TDP1

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 4182/4885PTGS1 4101/4885CYP1A2 1986/4885

“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.