SCHEMBL603095

SCHEMBL603095

Cc1nc(-c2nc(=O)o[nH]2)cc(-c2ccccc2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MAOB P27338 2/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
NPBWR1 P48145 1/20 0.37
NOTUM Q6P988 1/20 0.36
SDHB P21912 1/20 0.36
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36

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
SCHEMBL601046 0.86 MAPK14 (0.41) NPC1NOTUMIDO1
SCHEMBL603319 0.86 KDM5B (0.40) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL601128 0.83 TP53 (0.43) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1935314 0.77 TGFBR1 (0.44) NPC1RAB9ASMN1; SMN2PKMNOTUM
SCHEMBL603096 0.77 KMO (0.40) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL602041 0.77 XDH (0.47) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL603481 0.75 CXCL12 (0.45) MAPTNPC1RAB9AMEN1ALDH1A1
SCHEMBL601256 0.75 RAD51 (0.45) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL601482 0.75 PFKFB3 (0.42) MAPTMEN1KMT2AMAOBKDM4E
SCHEMBL603181 0.75 PFKFB3 (0.42) MAPTNPC1RAB9AMEN1KMT2A

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 MAPT 3666/4885NPC1 3500/4885RAB9A 1309/4885

“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.