SCHEMBL4464157

SCHEMBL4464157

CN(C)/C=C/C(=O)c1c(-c2ccc(Cl)cc2)nn2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PTGS2 P35354 4/20 0.40
HTT P42858 3/20 0.39
GAA P10253 1/20 0.39
GSK3B P49841 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 1/20 0.38
LMNA P02545 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
SCHEMBL4464159 1.00 MAPT (0.45) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL4485374 0.90 POLB (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4467387 0.90 POLB (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4469564 0.89 PTGS2 (0.51) CYP1A2CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL4469574 0.89 PTGS2 (0.51) CYP1A2CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL4475965 0.87 PTGS1 (0.53) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL4475955 0.87 PTGS1 (0.53) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL4482399 0.86 ALDH1A1 (0.42) ALDH1A1POLBPTGS2HTTGAA
SCHEMBL4482406 0.86 ALDH1A1 (0.42) ALDH1A1POLBPTGS2HTTGAA
SCHEMBL4480066 0.81 GSK3B (0.44) CYP1A2CYP2C19ALDH1A1NPC1RAB9A

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 MAPT 461/4885HPGD 2579/4885CYP1A2 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.