SCHEMBL602041

SCHEMBL602041

Cc1cccc(-c2cc(-c3nc(=O)o[nH]3)nc(C)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
PFKFB3 Q16875 2/20 0.40
NOTUM Q6P988 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
IDO1 P14902 1/20 0.39
METAP2 P50579 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPBWR1 P48145 1/20 0.38
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAOB P27338 1/20 0.38
KMO O15229 1/20 0.37
PIN1 Q13526 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL601128 0.87 TP53 (0.43) XDHNPC1RAB9AKDM4EMEN1
SCHEMBL601482 0.87 PFKFB3 (0.42) PFKFB3NOTUMIDO1KDM4EMEN1
SCHEMBL603181 0.87 PFKFB3 (0.42) PFKFB3NOTUMNPC1RAB9AIDO1
SCHEMBL28624478 0.84 RAB9A (0.49) XDHNOTUMNPC1RAB9AKDM4E
SCHEMBL603481 0.80 CXCL12 (0.45) NOTUMNPC1RAB9AMEN1KMT2A
SCHEMBL601256 0.80 RAD51 (0.45) PFKFB3NPC1RAB9AKDM4EMEN1
SCHEMBL12264969 0.79 XDH (0.53) XDHPFKFB3NPC1RAB9AIDO1
SCHEMBL602042 0.77 XDH (0.49) XDHNOTUMNPC1RAB9AIDO1
SCHEMBL601046 0.75 MAPK14 (0.41) NOTUMNPC1IDO1CASP3SENP8
SCHEMBL17051653 0.74 KMT2A (0.53) XDHNPC1RAB9AKDM4EMEN1

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 XDH 339/4885PFKFB3 56/4885NOTUM 334/4885

“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.