SCHEMBL1749975

SCHEMBL1749975

CCC(=O)c1cc(-c2cc(C)c(O)c(C)c2)nnc1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
HSP90AB1 P08238 1/20 0.36
CASP1 P29466 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
UBE2N P61088 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL1751290 0.85 CA1 (0.37) CASP1CA1CA2ALDH1A1ESR1
SCHEMBL1751822 0.72 HMGCR (0.44) HMGCRHSP90AB1L3MBTL1KDM4EKMT2A
SCHEMBL27972889 0.68 HSP90AB1 (0.45) HSP90AB1CA1CA2L3MBTL1KDM4E
SCHEMBL6812056 0.63 KMT2A (0.51) CA1CA2L3MBTL1MAPTMEN1
SCHEMBL1750123 0.63 CASP1 (0.49) CASP1MEN1KMT2AALDH1A1ESR1
SCHEMBL1751045 0.63 KDM4E (0.47) KDM4EMAPTHSD17B10MEN1KMT2A
SCHEMBL8812760 0.62 NR2F2 (0.53) HMGCRHSP90AB1KDM4EMAPTUBE2N
SCHEMBL30576398 0.62 NR2F2 (0.53) HMGCRHSP90AB1KDM4EMAPTUBE2N
SCHEMBL27978039 0.62 HMGCR (0.42) HMGCRHSP90AB1CASP1L3MBTL1MAPT
SCHEMBL13284211 0.61 HMGCR (0.68) HMGCRL3MBTL1KDM4EMAPTMEN1

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 13 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-1753743-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP disclosed
EP-1751141-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 Aventis Pharma S.A. (FR) 2007-02-14 EP 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
WO-2005111018-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-24 WO disclosed
WO-2005111019-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 AVENTIS PHARMA S.A. (FR) 2005-11-24 WO 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 HMGCR 672/4885HSP90AB1 2835/4885CASP1 1726/4885
US-20090130209-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 HMGCR 4499/4885HSP90AB1 2788/4885CASP1 1847/4885
US-20070259870-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 HMGCR 4499/4885HSP90AB1 2788/4885CASP1 1847/4885

“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.