SCHEMBL4477520

SCHEMBL4477520

Cc1ccc2c(C(=O)C=CN(C)C)c(-c3ccc(C(F)(F)F)cc3)nn2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
HTT P42858 1/20 0.35
MCHR1 Q99705 1/20 0.35
GSK3B P49841 2/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR35 Q9HC97 1/20 0.34
CYP1A1 P04798 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
SCHEMBL4477514 1.00 GAA (0.42) GAAALDH1A1POLBPTGS2KDM4E
SCHEMBL4479595 0.88 PTGS2 (0.50) ALDH1A1POLBPTGS2TDP1PTGS1
SCHEMBL4479600 0.88 PTGS2 (0.50) ALDH1A1POLBPTGS2TDP1PTGS1
SCHEMBL4479731 0.88 ALDH1A1 (0.50) GAAALDH1A1POLBKDM4ETDP1
SCHEMBL4479726 0.88 ALDH1A1 (0.50) GAAALDH1A1POLBKDM4ETDP1
SCHEMBL4469219 0.85 POLB (0.55) GAAALDH1A1POLBPTGS2TDP1
SCHEMBL4469208 0.85 POLB (0.55) GAAALDH1A1POLBPTGS2TDP1
SCHEMBL4482406 0.84 ALDH1A1 (0.42) GAAALDH1A1POLBPTGS2KDM4E
SCHEMBL4482399 0.84 ALDH1A1 (0.42) GAAALDH1A1POLBPTGS2KDM4E
SCHEMBL4474537 0.82 PTGS2 (0.41) ALDH1A1PTGS2PTGS1MCHR1GSK3B

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 GAA 2919/4885ALDH1A1 4212/4885POLB 2886/4885

“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.