SCHEMBL12367158

SCHEMBL12367158

O=C1Nc2ccccc2Cc2nnccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.56
CDK2 P24941 4/20 0.56
PLK4 O00444 3/20 0.56
AURKA O14965 3/20 0.56
CHEK2 O96017 3/20 0.56
CSNK1D P48730 3/20 0.56
GSK3A P49840 3/20 0.56
CDK5 Q00535 3/20 0.56
AURKB Q96GD4 3/20 0.56
STK3 Q13188 2/20 0.56
LCK P06239 1/20 0.56
MAPK8 P45983 1/20 0.56
BLK P51451 1/20 0.56
AHR P35869 1/20 0.46
PDK2 Q15119 1/20 0.46
SRC P12931 2/20 0.41
TDP2 O95551 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40

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
SCHEMBL70512 0.73 METAP2 (0.47) PLK4CDK5AURKBMAPK8TDP2
SCHEMBL2087698 0.73 TDP2 (0.66) GSK3BAHRPDK2SRCTDP2
SCHEMBL2265343 0.72 GSK3B (1.00) GSK3BCDK2PLK4AURKACHEK2
SCHEMBL13629289 0.70 CYP1A2 (0.54) GSK3BTDP2CASP3CASP7CASP9
SCHEMBL1816980 0.69 AHR (0.63) AHRPDK2SRCTDP2CASP3
SCHEMBL7411028 0.68 AHR (0.52) GSK3BAHRPDK2SRCTDP2
SCHEMBL6249305 0.68 AHR (0.61) AHRPDK2SRCTDP2CASP3
SCHEMBL477913 0.67 CDK2 (0.56) GSK3BCDK2PLK4AURKACHEK2
SCHEMBL4356821 0.66 AHR (0.59) AHRPDK2SRCTDP2CASP3
SCHEMBL2086488 0.66 NPC1 (0.62) GSK3BCDK2AHRPDK2TDP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994160-B2 Pyridazine compounds as glycogen synthase kinase 3 inhibitors ABBOTT GMBH & CO. KG (DE) 2011-08-09 US disclosed
US-20090325937-A1 Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors ABBOTT GMBH & CO. KG (DE) 2009-12-31 US 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-20090325937-A1 Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors GSK3B, GSK3A, GYS2 GSK3B 1/4885CDK2 32/4885PLK4 39/4885

“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.