SCHEMBL601890

SCHEMBL601890

Cc1nc(C(N)=NO)cc(-c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMO O15229 1/20 0.40
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
SCN9A Q15858 8/20 0.38
FPR2 P25090 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
GRM2 Q14416 1/20 0.36
PPARG P37231 1/20 0.36
MCL1 Q07820 1/20 0.36
PTK2B Q14289 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ALOX5 P09917 1/20 0.36
PFKFB3 Q16875 1/20 0.36
RAD51 Q06609 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
SCHEMBL10223715 1.00 KDM4E (0.43) KDM4EHPGDALDH1A1KMOATP4A
SCHEMBL601761 0.88 KMO (0.41) KDM4EHPGDALDH1A1KMOADORA3
SCHEMBL10223699 0.88 KMO (0.41) KDM4EHPGDALDH1A1KMOADORA3
SCHEMBL602260 0.85 CXCL12 (0.47) KDM4EALDH1A1KMOADORA3GRM2
SCHEMBL10223708 0.85 CXCL12 (0.47) KDM4EALDH1A1KMOADORA3GRM2
SCHEMBL601102 0.85 KMT2A (0.43) KDM4EHPGDALDH1A1KMOADORA2A
SCHEMBL10223679 0.85 KMT2A (0.43) KDM4EHPGDALDH1A1KMOADORA2A
SCHEMBL10223705 0.85 MAPT (0.41) KDM4EHPGDKMOADORA2ANPSR1
SCHEMBL601235 0.85 MAPT (0.41) KDM4EHPGDKMOADORA2ANPSR1
SCHEMBL27848850 0.83 KMO (0.38) KDM4EALDH1A1KMO

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 KDM4E 1030/4885HPGD 1037/4885ALDH1A1 2299/4885

“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.