SCHEMBL324998

SCHEMBL324998

[O]c1cnc2nc[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
BRD4 O60885 1/20 0.33
IP6K1 Q92551 1/20 0.33
PNP P00491 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8044760 0.74 ALDH1A1 (0.39) ALDH1A1KDM4ERXFP1PIK3CDPIK3CA
SCHEMBL30770845 0.74 ALDH1A1 (0.48) ALDH1A1KDM4ERXFP1PIK3CDPIK3CA
SCHEMBL29623085 0.74 KDM4E (0.39) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL2190488 0.74 ALDH1A1 (0.48) ALDH1A1KDM4ERXFP1PIK3CDPIK3CA
SCHEMBL21906548 0.74 ALDH1A1 (0.39) ALDH1A1KDM4ERXFP1PIK3CDPIK3CA
SCHEMBL27796456 0.74 ALDH1A1 (0.39) ALDH1A1KDM4ERXFP1PIK3CDPIK3CA
SCHEMBL324999 0.74 ALDH1A1 (0.39) ALDH1A1KDM4ERXFP1PIK3CDPIK3CA
SCHEMBL4224638 0.74 IP6K1 (0.40) ALDH1A1KDM4ERXFP1PIK3CDPIK3CA
SCHEMBL1759160 0.72 MME (0.43) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL29737900 0.72 MME (0.43) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
EP-2878594-B1 DIFLUOROMETHYLENE COMPOUND SATO PHARMA (JP) 2018-11-28 EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
US-9512119-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-12-06 US disclosed
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 US disclosed
EP-2590944-B1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 US disclosed
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-09 US disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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 (7 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-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 ALDH1A1 271/4885KDM4E 1780/4885RXFP1 314/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 ALDH1A1 2782/4885KDM4E 3385/4885RXFP1 270/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 ALDH1A1 1717/4885KDM4E 1674/4885RXFP1 278/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 ALDH1A1 1717/4885KDM4E 1674/4885RXFP1 278/4885
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 ALDH1A1 1934/4885KDM4E 4024/4885RXFP1 450/4885
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND XDH, SULT1A1, RFT1 ALDH1A1 243/4885KDM4E 1714/4885RXFP1 285/4885
US-20150203490-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 ALDH1A1 487/4885KDM4E 2113/4885RXFP1 86/4885

“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.