SCHEMBL1751049

SCHEMBL1751049

COc1nnc(-c2ccncc2)cc1-c1cc2cc(C(C)C)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
EIF4A3 P38919 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CLK1 P49759 1/20 0.36
SQOR Q9Y6N5 2/20 0.36
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
GCGR P47871 1/20 0.34
TEK Q02763 1/20 0.33
ITK Q08881 1/20 0.33
TLR8 Q9NR97 2/20 0.33

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
SCHEMBL3424207 0.82 EIF4A3 (0.37) GSK3BEIF4A3CLK1SQORKDM4E
SCHEMBL1750171 0.77 GSK3B (0.41) GSK3BEIF4A3HDAC6MAPK13MAPK12
SCHEMBL3424712 0.76 PKN1 (0.51) MAPK14KDM4EMEN1MAPTRAB9A
SCHEMBL3422569 0.74 CLK1 (0.38) GSK3BCLK1SQORKDM4EMEN1
Trifluoroacetic Acid SCHEMBL1749441 0.73 SLC22A12 (0.48) SQORKDM4EMEN1MAPTRAB9A
SCHEMBL3426237 0.70 RAB9A (0.48) GSK3BKDM4EMEN1MAPTRAB9A
SCHEMBL3428892 0.69 CHEK1 (0.44)
SCHEMBL3428216 0.67 F2 (0.42)
SCHEMBL1750916 0.67 GSK3A (0.54) GSK3BKDM4EMEN1MAPTRAB9A
SCHEMBL1751045 0.67 KDM4E (0.47) GSK3BKDM4EMEN1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP disclosed
US-7968546-B2 Pyridazinone kinase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20090130209-A1 Novel Pyridazinone Derivatives AVENTIS PHARMA S.A. (FR) 2009-05-21 US disclosed
US-7507734-B2 Pyridazinone derivatives AVENTIS PHARMA S.A. (FR) 2009-03-24 US disclosed
US-20070259870-A1 Novel Pyridazinone Derivatives AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US disclosed
EP-1604988-A1 Pyridazinone derivatives, methods for producing them and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2005-12-14 EP disclosed
EP-1598348-A1 Novel pyridazinone derivatives as inhibitors of CDK2 Aventis Pharma Deutschland GmbH (DE) 2005-11-23 EP 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 (3 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK GSK3B 1/4885EIF4A3 1416/4885HDAC6 1339/4885
US-20090130209-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 GSK3B 572/4885EIF4A3 1328/4885HDAC6 1562/4885
US-20070259870-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 GSK3B 572/4885EIF4A3 1328/4885HDAC6 1562/4885

“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.