SCHEMBL1751045

SCHEMBL1751045

COc1nnc(-c2cc(C)c(O)c(C)c2)cc1-c1cc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 4/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44

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
SCHEMBL3428216 0.83 F2 (0.42) CASP3SENP8SENP7SENP6
SCHEMBL3426237 0.80 RAB9A (0.48) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL3424201 0.80 HRH3 (0.42) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL1749941 0.79 ALOX5 (0.50) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL3425635 0.77 ALOX5 (0.43) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL10460032 0.77 RAB9A (0.59) KDM4EMAPTRAB9AMEN1KMT2A
Trifluoroacetic Acid SCHEMBL1749441 0.76 SLC22A12 (0.48) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL1752531 0.75 KDR (0.51) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL15886938 0.71 KDM4E (0.55) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL537355 0.71 RAB9A (0.61) KDM4EMAPTRAB9AMEN1KMT2A

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 KDM4E 1525/4885MAPT 1093/4885RAB9A 3790/4885
US-20090130209-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 KDM4E 1854/4885MAPT 2764/4885RAB9A 3714/4885
US-20070259870-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 KDM4E 1854/4885MAPT 2764/4885RAB9A 3714/4885

“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.