SCHEMBL603545

SCHEMBL603545

Cc1nc(C#N)cc(-c2cccc(Cl)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
ADRB2 P07550 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA1 P30542 4/20 0.46
ADORA2A P29274 3/20 0.46
ADORA2B P29275 2/20 0.46
KDM4E B2RXH2 2/20 0.44
PFKFB3 Q16875 2/20 0.44
ALOX15 P16050 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL603951 0.83 MAPT (0.58) MAPTL3MBTL1SMN1; SMN2LMNAADRB2
SCHEMBL603975 0.82 KDM4E (0.59) CTSKMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL603342 0.82 KDM4E (0.48) CTSSMAPTSMN1; SMN2LMNAADORA1
SCHEMBL601167 0.76 KDM4E (0.50) MAPTL3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL14667310 0.75 KMO (0.65) CTSSCTSKADORA1ADORA2AADORA2B
SCHEMBL602804 0.74 ADORA2A (0.47) MAPTL3MBTL1SMN1; SMN2LMNAADRB2
SCHEMBL603770 0.73 KDM4E (0.51) MAPTL3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL27848601 0.73 MAPT (0.45) MAPTL3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL1938835 0.72 KMO (0.68) L3MBTL1ADORA1ADORA2AKMT2A
SCHEMBL11937160 0.72 ADORA1 (0.46) CTSSCTSKL3MBTL1SMN1; SMN2ADORA1

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 CTSS 2559/4885CTSK 2601/4885MAPT 3666/4885

“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.