SCHEMBL1026795

SCHEMBL1026795

COCOc1ccc(C(C)(C)C)nc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
FYN P06241 3/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C19 P33261 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
SCHEMBL22043410 0.84 CBFB (0.40)
SCHEMBL2078315 0.84 CHRNB2 (0.46) MMP2MMP3MMP9MMP14CHRNB2
SCHEMBL1056377 0.83 CHRNB2 (0.35) MMP2MMP3MMP9MMP14FYN
SCHEMBL12710188 0.81 NQO1 (0.50) LMNARAB9A
SCHEMBL1050567 0.80 HSD11B1 (0.41) MMP2MMP3MMP9MMP14FYN
SCHEMBL10220768 0.80 CA12 (0.42) LMNAPOLB
SCHEMBL20085933 0.79 EGLN2 (0.39) CHRNB2CHRNA4MRGPRX4LMNAPOLB
SCHEMBL20128692 0.78 CA12 (0.47) RAB9ACYP2C19
SCHEMBL25888663 0.78 CA12 (0.47) CHRNB2CHRNA4LMNARAB9AL3MBTL1
SCHEMBL1057931 0.77 CHRNB2 (0.32) MMP2MMP3MMP9MMP14CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 US disclosed
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 US disclosed
EP-2536410-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME (US) 2015-09-23 EP disclosed
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2014-08-28 US disclosed
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2014-08-28 US disclosed
EP-2448946-B1 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS NOVARTIS AG (CH) 2013-07-24 EP disclosed
US-8357707-B2 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2013-01-22 US disclosed
US-8357707-B2 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2013-01-22 US disclosed
US-8357707-B2 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2013-01-22 US disclosed
EP-2448946-A1 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS Novartis AG (CH) 2012-05-09 EP disclosed
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 US disclosed
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 US disclosed
WO-2011103441-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2011-08-25 WO disclosed
WO-2011000855-A1 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS NOVARTIS AG (CH) 2011-01-06 WO disclosed
US-20110003786-A1 2-Carboxamide Cycloamino Ureas NOVARTIS AG 2011-01-06 US disclosed
US-20110003786-A1 2-Carboxamide Cycloamino Ureas NOVARTIS AG 2011-01-06 US disclosed
US-20110003786-A1 2-Carboxamide Cycloamino Ureas NOVARTIS AG 2011-01-06 US disclosed
WO-2010022121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-02-25 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 (5 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 MMP2 2458/4885MMP3 3403/4885MMP9 3075/4885
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO MMP2 4234/4885MMP3 4259/4885MMP9 2729/4885
US-20110003786-A1 2-Carboxamide Cycloamino Ureas PIK3C3, PRKACA, UACA MMP2 1967/4885MMP3 2518/4885MMP9 2840/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 MMP2 2458/4885MMP3 3403/4885MMP9 3075/4885
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO MMP2 4234/4885MMP3 4259/4885MMP9 2729/4885

“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.