SCHEMBL602046

SCHEMBL602046

Cc1nc(Cc2ccccc2)cc(-c2noc(=O)[nH]2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KMO O15229 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MDM2 Q00987 2/20 0.37
SLC33A1 O00400 1/20 0.36
GSK3B P49841 1/20 0.36
PLA2G2A P14555 1/20 0.36
ADORA1 P30542 1/20 0.36
FTO Q9C0B1 1/20 0.35
BPGM P07738 1/20 0.35
KMT2A Q03164 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
SCHEMBL601129 0.80 KMO (0.44) POLBKMOALDH1A1SMN1; SMN2KDM4E
SCHEMBL603196 0.80 PLA2G2A (0.41) KMOALDH1A1PLA2G2ABPGM
SCHEMBL602045 0.79 POLB (0.44) POLBGABRA1GABRB2ALDH1A1KDM4E
SCHEMBL603320 0.76 KMO (0.46) KMOALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL603096 0.75 KMO (0.40) KMOALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL607647 0.74 KMO (0.41) KMOALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL601047 0.73 DHODH (0.49) KMORAB9ASMN1; SMN2L3MBTL1ADORA1
SCHEMBL603482 0.73 KMO (0.51) KMOALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL603182 0.72 KMO (0.48) KMORAB9AMDM2
SCHEMBL603947 0.72 KMO (0.47) KMOALDH1A1RAB9ASMN1; SMN2TDP1

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 5 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
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 POLB 335/4885GABRA1 3940/4885GABRB2 3644/4885

“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.