SCHEMBL727387

SCHEMBL727387

Nc1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.49
ALDH1A1 P00352 2/20 0.48
MASP2 O00187 1/20 0.48
MEN1 O00255 1/20 0.48
NUDT1 P36639 1/20 0.48
KMT2A Q03164 1/20 0.48
AOC3 Q16853 1/20 0.48
PLAU P00749 1/20 0.47
FABP6 P51161 2/20 0.46
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
BACE1 P56817 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
HSD17B10 Q99714 1/20 0.40
CBFB Q13951 3/20 0.39
ABL1 P00519 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ILK Q13418 2/20 0.38

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
SCHEMBL727388 0.86 PLAU (0.61) TYMSALDH1A1MASP2MEN1NUDT1
SCHEMBL15938795 0.84 ALDH1A1 (0.50) TYMSALDH1A1MASP2MEN1NUDT1
SCHEMBL5681591 0.82 TYMS (0.52) TYMSALDH1A1MASP2MEN1NUDT1
SCHEMBL3597284 0.80 MEN1 (0.54) ALDH1A1MASP2MEN1NUDT1KMT2A
SCHEMBL5679917 0.79 FABP6 (0.47) TYMSALDH1A1MASP2MEN1NUDT1
SCHEMBL19364508 0.79 HSD17B10 (0.40) TYMSHSD17B10CBFBTDP1ILK
SCHEMBL6324712 0.79 HSD17B10 (0.40) TYMSHSD17B10CBFBTDP1ILK
SCHEMBL889001 0.79 HSD17B10 (0.47) ALDH1A1MEN1KMT2AHSD17B10CBFB
SCHEMBL23800775 0.78 XDH (0.50) TYMSALDH1A1MASP2MEN1NUDT1
SCHEMBL11718240 0.78 AOC3 (0.53) ALDH1A1MASP2MEN1NUDT1KMT2A

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-2953944-B1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2017-04-26 EP disclosed
US-20170071936-A1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-9567320-B2 Pyridazinone-amides derivatives MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-20150376167-A1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2015-12-31 US disclosed
EP-2953944-A1 PYRIDAZINONE-AMIDES DERIVATIVES Merck Patent GmbH (DE) 2015-12-16 EP disclosed
CN-102917775-B There is the PA membrane of the coating comprising polyalkylene oxide and imidazolium compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2015-11-25 CN disclosed
WO-2014121931-A1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2014-08-14 WO disclosed
US-8646616-B2 Composite membrane with coating comprising polyalkylene oxide and imidazol compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2014-02-11 US disclosed
CN-102917775-A Polyamide membrane with coating comprising polyalkylene oxide and imidazol compounds DOW GLOBAL TECHNOLOGIES LLC 2013-02-06 CN disclosed
WO-2011149572-A1 POLYAMIDE MEMBRANE WITH COATING COMPRISING POLYALKYLENE OXIDE AND IMIDAZOL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-12-01 WO disclosed
US-20110284454-A1 COMPOSITE MEMBRANE WITH COATING COMPRISING POLYALKYLENE OXIDE AND IMIDAZOL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC 2011-11-24 US disclosed
US-4550118-A ANTIULCER, ANTISECRETORY AGENT, HISTAMINE ANTAGONIST IKEDA MOHANDO CO., LTD. (JP) 1985-10-29 US disclosed
EP-0111685-A1 Benzazoles as histamine H2 receptor antagonists Ikeda Mohando Co., Ltd. (JP) 1984-06-27 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 (2 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-20170071936-A1 PYRIDAZINONE-AMIDES DERIVATIVES CNKSR1, SSB, NQO2 TYMS 997/4885ALDH1A1 108/4885MASP2 2403/4885
US-20150376167-A1 PYRIDAZINONE-AMIDES DERIVATIVES CNKSR1, SSB, NQO2 TYMS 997/4885ALDH1A1 108/4885MASP2 2403/4885

“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.