SCHEMBL601046

SCHEMBL601046

Cc1nc(-c2nc(=O)o[nH]2)cc(-c2ccccc2F)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
ADORA2A P29274 6/20 0.40
ADORA1 P30542 5/20 0.40
ADORA3 P0DMS8 4/20 0.40
ADORA2B P29275 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
ALPI P09923 1/20 0.39
PDE10A Q9Y233 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PTGES O14684 1/20 0.36
C1R P00736 1/20 0.35
NOTUM Q6P988 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL603319 0.84 KDM5B (0.40) KDM5BNPC1PTGESC1RNOTUM
SCHEMBL601128 0.81 TP53 (0.43) ADORA2AADORA1ADORA3NPC1GAA
SCHEMBL20910332 0.80 MAPK14 (0.53) MAPK14ADORA2AADORA1ADORA3ADORA2B
SCHEMBL601256 0.78 RAD51 (0.45) ADORA2AADORA1ADORA3KDM5BNPC1
SCHEMBL601482 0.78 PFKFB3 (0.42) ADORA3KDM5BPTGESNOTUMMGAM
SCHEMBL601047 0.78 DHODH (0.49) MAPK14ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1935060 0.75 TGFBR1 (0.44) MAPK14KDM5BNPC1CASP3SENP8
SCHEMBL602041 0.75 XDH (0.47) ADORA3NPC1CASP3SENP8SENP7
SCHEMBL603481 0.73 CXCL12 (0.45) KDM5BNPC1NOTUM
SCHEMBL603181 0.73 PFKFB3 (0.42) ADORA3KDM5BNPC1NOTUMMGAM

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 MAPK14 2820/4885ADORA2A 367/4885ADORA1 372/4885

“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.