SCHEMBL602804

SCHEMBL602804

Cc1nc(C#N)cc(-c2ccccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL6586882 0.78 HSP90AA1 (0.64) ADORA2AADORA1HSP90AA1HSP90AB1KDM4E
SCHEMBL603975 0.77 KDM4E (0.59) ADORA2AADORA1L3MBTL1GAAKDM4E
SCHEMBL6588868 0.76 HSP90AA1 (0.47) L3MBTL1HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL603951 0.74 MAPT (0.58) ADORA2AADORA1L3MBTL1HSP90AA1GAA
SCHEMBL603545 0.74 CTSS (0.52) ADORA2AADORA1L3MBTL1GAAKDM4E
SCHEMBL602203 0.73 CCR1 (0.46) L3MBTL1HSP90AA1GAAKDM4EALDH1A1
SCHEMBL17563127 0.71 GPR119 (0.41) L3MBTL1GAAKDM4EALDH1A1HPGD
SCHEMBL601167 0.70 KDM4E (0.50) ADORA2AADORA1L3MBTL1GAAKDM4E
SCHEMBL1163396 0.70 KDM4E (0.38) L3MBTL1KDM4EALDH1A1HPGDKMT2A
SCHEMBL12303170 0.68 HSP90AA1 (0.59) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102428082-A Pyrimidine compounds and their use in pest control SUMITOMO CHEMICAL CO 2012-04-25 CN disclosed
EP-2432780-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010134478-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 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 (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-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS ADORA2A 367/4885ADORA1 372/4885L3MBTL1 973/4885

“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.