SCHEMBL7969350

SCHEMBL7969350

CCOC(=O)c1c(Cl)ncnc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
PDE4D Q08499 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PDE4B Q07343 1/20 0.38
NPC1 O15118 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
SCHEMBL16274616 0.88 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL8596687 0.85 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL3110696 0.83 PDE4D (0.46) CA12CA1CA2CA7CA9
SCHEMBL9082411 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL16275009 0.82 SMN1; SMN2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL15170666 0.80 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TDP1NPC1LMNA
SCHEMBL18113761 0.79 HSD17B10 (0.50) CA12CA1CA2CA7CA9
SCHEMBL10177625 0.77 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ENPC1NPSR1
SCHEMBL843997 0.76 ADORA3 (0.47) CA12CA1CA2CA7CA9
SCHEMBL15155090 0.75 ADORA3 (0.49) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2825533-B1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2016-10-19 EP disclosed
US-9462809-B2 Fungicidal pyrimidine compounds BASF SE (DE) 2016-10-11 US disclosed
US-20160221964-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2016-08-04 US disclosed
EP-3046915-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2016-07-27 EP disclosed
US-20150373980-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2015-12-31 US disclosed
WO-2015036058-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2015-03-19 WO disclosed
EP-2825533-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2015-01-21 EP disclosed
EP-2810944-A1 HETEROCYCLIC COMPOUND HAVING ANTI-HIV ACTIVITY Toyama Chemical Co., Ltd. (JP) 2014-12-10 EP disclosed
WO-2013135671-A9 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2013-10-24 WO disclosed
WO-2013135671-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2013-09-19 WO disclosed
US-5948819-A α-substituted phenylacetic acid derivative, its production and agricultural fungicide containing it SHIONOGI & CO., LTD (JP) 1999-09-07 US disclosed
US-5852023-A Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-12-22 US disclosed
CN-1179773-A Cyclohexylamino and cyclohexylalkoxy nitrogen heterocycles, methods of preparing them and their use as pest-control agents and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-04-22 CN disclosed
EP-0817774-A1 CYCLOHEXYLAMINO AND CYCLOHEXYLALKOXY NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1998-01-14 EP disclosed
CN-1145061-A Alpha-substituted phenylacetic acid derivatives, their preparation and agricultural fungicides containing the same SHIONOGI & CO (JP) 1997-03-12 CN disclosed
EP-0754672-A1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-01-22 EP disclosed
WO-1996030345-A1 CYCLOHEXYLAMINO AND CYCLOHEXYLALKOXY NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-10-03 WO disclosed
US-5519139-A FUNGICIDES, INSTECTICIDES, MITICIDES SHIONOGI & CO., LTD. (JP) 1996-05-21 US disclosed
US-5439911-A A potent fungicides, insecticides and miticides SHIONOGI & CO., LTD. (JP) 1995-08-08 US disclosed
EP-0606011-A1 Aminopyrimidine derivatives and their production and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-07-13 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-20150373980-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS DPM1, DPYD, TYMP CA12 4717/4885CA1 4201/4885CA2 3669/4885
US-20160221964-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS DPM1, DPYD, TYMP CA12 4698/4885CA1 3922/4885CA2 3005/4885

“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.