SCHEMBL603181

SCHEMBL603181

Cc1nc(-c2cccc(Cl)c2)cc(-c2nc(=O)o[nH]2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.42
KDM5B Q9UGL1 1/20 0.41
PIN1 Q13526 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAOB P27338 1/20 0.38
NOTUM Q6P988 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
IDO1 P14902 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
TP53 P04637 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
SCHEMBL602041 0.87 XDH (0.47) PFKFB3PIN1ADORA3MAOBNOTUM
SCHEMBL603481 0.85 CXCL12 (0.45) KDM5BNOTUMNPC1RAB9AMEN1
SCHEMBL601128 0.85 TP53 (0.43) ADORA3GAANPC1RAB9AMEN1
SCHEMBL601482 0.85 PFKFB3 (0.42) PFKFB3KDM5BADORA3GAAMGAM
SCHEMBL603182 0.79 KMO (0.48) PFKFB3KDM5BPIN1GAAMGAM
SCHEMBL601256 0.77 RAD51 (0.45) PFKFB3KDM5BADORA3MAOBNPC1
SCHEMBL601046 0.73 MAPK14 (0.41) KDM5BADORA3GAAMGAMSI
SCHEMBL602045 0.72 POLB (0.44) MEN1KMT2AMAPT
SCHEMBL603200 0.71 ALDH1A1 (0.40) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL28624478 0.70 RAB9A (0.49) PIN1ADORA3MAOBNOTUMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PFKFB3 56/4885KDM5B 629/4885PIN1 2547/4885

“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.