SCHEMBL602995

SCHEMBL602995

Cc1nc(Cl)cc(-c2ccccc2F)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.45
NPC1 O15118 3/20 0.45
ADORA2A P29274 5/20 0.44
ADORA1 P30542 4/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
PDE10A Q9Y233 1/20 0.43
ADORA3 P0DMS8 3/20 0.42
ADORA2B P29275 1/20 0.42
MBNL1 Q9NR56 1/20 0.41
MPL P40238 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
RAB9A P51151 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL20910332 0.87 MAPK14 (0.53) MAPK14NPC1ADORA2AADORA1PDE10A
SCHEMBL5412742 0.87 HSP90AA1 (0.38) MAPK14ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL6586882 0.82 HSP90AA1 (0.64) NPC1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL602372 0.82 HSP90AA1 (0.46) NPC1HSP90AA1HSP90AB1CASP3SENP8
SCHEMBL20576367 0.82 NPC1 (0.47) NPC1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL25068017 0.79 KDM4E (0.46) NPC1HSP90AA1HSP90AB1L3MBTL1RAB9A
SCHEMBL17476767 0.79 HSP90AA1 (0.70) MAPK14NPC1ADORA2AADORA1HSP90AA1
SCHEMBL29502717 0.79 HSP90AA1 (0.70) MAPK14NPC1ADORA2AADORA1HSP90AA1
SCHEMBL10540892 0.79 KMT2A (0.42) NPC1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL20910316 0.76 L3MBTL1 (0.52) NPC1ADORA2AADORA1ADORA3ADORA2B

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 6 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
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 MAPK14 2820/4885NPC1 3500/4885ADORA2A 367/4885

“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.