SCHEMBL6533912

SCHEMBL6533912

OCc1cnn(-c2ccc(Cl)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.55
HTR2C P28335 7/20 0.55
DRD2 P14416 3/20 0.52
DRD3 P35462 2/20 0.52
MAPT P10636 2/20 0.51
NOTUM Q6P988 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAP4K4 O95819 1/20 0.47
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FEN1 P39748 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
KCNH2 Q12809 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
SCHEMBL2414192 0.84 DRD4 (0.54) DRD4HTR2CDRD2DRD3MAPT
SCHEMBL9048864 0.82 DRD4 (0.52) DRD4HTR2CDRD2DRD3MAPT
SCHEMBL15180418 0.82 DRD4 (0.52) DRD4HTR2CDRD2DRD3MAPT
SCHEMBL6533713 0.82 NOTUM (0.51) DRD4HTR2CDRD2DRD3MAPT
SCHEMBL28980400 0.82 MEN1 (0.41) DRD4HTR2CDRD2DRD3MAPT
SCHEMBL2412911 0.81 GAA (0.58) DRD4HTR2CDRD2DRD3MAPT
SCHEMBL6532804 0.81 NPBWR1 (0.43) DRD4HTR2CDRD2DRD3NOTUM
SCHEMBL6530604 0.81 LMNA (0.41) DRD4HTR2CDRD2DRD3MAPT
SCHEMBL1930732 0.81 GABRA1 (0.43) DRD4HTR2CDRD2DRD3MAPT
SCHEMBL28629989 0.80 DRD4 (0.51) DRD4HTR2CDRD2DRD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689644-B Pyridazinone compound and application thereof 沈阳中化农药化工研发有限公司 2021-07-30 CN disclosed
CN-107964007-B Pyridazinone compound and application thereof 沈阳中化农药化工研发有限公司 2021-02-12 CN disclosed
EP-3081565-B9 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2020-08-12 EP disclosed
CN-109689644-A Pyridazinone compound and its application 沈阳中化农药化工研发有限公司 2019-04-26 CN disclosed
US-9682962-B2 Pyrazolyl pyrimidinamine compound and application thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-06-20 US disclosed
US-9682962-B2 Pyrazolyl pyrimidinamine compound and application thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-06-20 US disclosed
US-9682962-B2 Pyrazolyl pyrimidinamine compound and application thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-06-20 US disclosed
US-20160332991-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-11-17 US disclosed
US-20160332991-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-11-17 US disclosed
US-20160332991-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-11-17 US disclosed
EP-3081565-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2016-10-19 EP disclosed
EP-3081565-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2016-10-19 EP disclosed
WO-2015085935-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF 中国中化股份有限公司 2015-06-18 WO disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 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-20160332991-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF CTRC, APRT, MASTL DRD4 3889/4885HTR2C 1930/4885DRD2 2885/4885

“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.