SCHEMBL4474537

SCHEMBL4474537

CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)nn2nc(C)ccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.39
GSK3B P49841 4/20 0.39
MCHR1 Q99705 1/20 0.37
DHODH Q02127 1/20 0.37
SCN9A Q15858 2/20 0.36
GRM5 P41594 1/20 0.36
PTGER1 P34995 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CDK2 P24941 1/20 0.36
TRPM2 O94759 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL4479371 0.85 GSK3B (0.50) SMN1; SMN2GSK3BCDK2ALDH1A1LMNA
SCHEMBL4488848 0.85 PTGS2 (0.55) PTGS2PTGS1GSK3BDHODHALDH1A1
SCHEMBL4477520 0.82 GAA (0.42) PTGS2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4477514 0.82 GAA (0.42) PTGS2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4474200 0.81 PTGS2 (0.42) PTGS2PTGS1GSK3BPTGER1TRPV1
SCHEMBL5378944 0.73 MAPK14 (0.58) DHODHSCN9A
SCHEMBL17295125 0.73 SCN9A (0.44) MAPTGSK3BDHODHSCN9AGRM5
SCHEMBL17290240 0.73 SCN9A (0.44) MAPTGSK3BDHODHSCN9AGRM5
SCHEMBL4479731 0.69 ALDH1A1 (0.50) MAPTGSK3BCDK2ALDH1A1TRPV1
SCHEMBL4479726 0.69 ALDH1A1 (0.50) MAPTGSK3BCDK2ALDH1A1TRPV1

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 4182/4885NPC1 3558/4885MAPT 461/4885

“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.