SCHEMBL602886

SCHEMBL602886

NC(=NO)c1cc(-c2ccccc2)nc(C2CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ADORA1 P30542 9/20 0.37
ADORA2A P29274 6/20 0.37
HTT P42858 3/20 0.36
GLA P06280 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ADORA3 P0DMS8 5/20 0.36
MAPT P10636 2/20 0.34
AGTR1 P30556 1/20 0.34

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
SCHEMBL10223722 1.00 KDM4E (0.38) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL14510401 0.77 KDM4E (0.57) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL10223679 0.77 KMT2A (0.43) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL601102 0.77 KMT2A (0.43) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL601725 0.74 MEN1 (0.43) ALDH1A1HPGDADORA1ADORA2ALMNA
SCHEMBL10223738 0.73 KDM4E (0.39) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL602791 0.73 KDM4E (0.39) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL602010 0.71 KHK (0.36) TSHRMEN1KMT2A
SCHEMBL602965 0.71 KDM4E (0.54) KDM4EALDH1A1HPGDADORA1ADORA2A
SCHEMBL14667328 0.70 KMO (0.60) TSHRKMT2AMAPTSMN1; SMN2

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 1030/4885HSD17B10 3869/4885ALDH1A1 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.