SCHEMBL603684

SCHEMBL603684

Cc1nc(C(N)=NO)cc(-c2cccc(Cl)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
KMO O15229 3/20 0.43
PFKFB3 Q16875 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CNR2 P34972 2/20 0.38
SLC9A1 P19634 1/20 0.37

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
SCHEMBL10223681 1.00 ATP4A (0.44) ATP4AATP4BKMOPFKFB3ADORA2A
SCHEMBL601127 0.86 ATP4A (0.46) ATP4AATP4BKMOPFKFB3ADORA2A
SCHEMBL10223707 0.86 ATP4A (0.46) ATP4AATP4BKMOPFKFB3ADORA2A
SCHEMBL10223708 0.85 CXCL12 (0.47) KMO
SCHEMBL602260 0.85 CXCL12 (0.47) KMO
SCHEMBL10223679 0.84 KMT2A (0.43) KMOADORA2AADORA1
SCHEMBL601102 0.84 KMT2A (0.43) KMOADORA2AADORA1
SCHEMBL10223705 0.84 MAPT (0.41) KMOPFKFB3ADORA2AADORA1SLC9A1
SCHEMBL601235 0.84 MAPT (0.41) KMOPFKFB3ADORA2AADORA1SLC9A1
SCHEMBL27865707 0.82 KARS1 (0.40) ATP4AATP4BKMO

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 4 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
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 ATP4A 3719/4885ATP4B 1870/4885KMO 868/4885

“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.