SCHEMBL4469219

SCHEMBL4469219

Cc1ccc2c(C(=O)C=CN(C)C)c(-c3ccccc3)nn2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.55
PTGS1 P23219 1/20 0.47
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 1/20 0.43
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
GSK3B P49841 1/20 0.38
HSP90AA1 P07900 2/20 0.38
GAA P10253 1/20 0.37
PTGS2 P35354 1/20 0.37
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4469208 1.00 POLB (0.55) POLBPTGS1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4479595 0.88 PTGS2 (0.50) POLBPTGS1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4479600 0.88 PTGS2 (0.50) POLBPTGS1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4477514 0.85 GAA (0.42) POLBPTGS1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4477520 0.85 GAA (0.42) POLBPTGS1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4479731 0.84 ALDH1A1 (0.50) POLBALDH1A1MAPTTDP1GSK3B
SCHEMBL4479726 0.84 ALDH1A1 (0.50) POLBALDH1A1MAPTTDP1GSK3B
SCHEMBL4485374 0.83 POLB (0.52) POLBPTGS1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4467387 0.83 POLB (0.52) POLBPTGS1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4478727 0.79 PTGS1 (0.52) POLBPTGS1SMN1; SMN2MEN1KMT2A

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 POLB 2886/4885PTGS1 4101/4885ALDH1A1 4212/4885

“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.