SCHEMBL2065281

SCHEMBL2065281

CC(C)Cc1ccc2nc(Cl)cn2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.50
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
DRD3 P35462 4/20 0.34
HTR1A P08908 3/20 0.34
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
AHR P35869 2/20 0.32
TLR7 Q9NYK1 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL18781543 0.85 PDE10A (0.36) PDE10ADRD2DRD4DRD3HTR1A
SCHEMBL2066163 0.81 PDE10A (0.50) PDE10ADRD2DRD4DRD3HTR1A
SCHEMBL2066173 0.81 PDE10A (0.34) PDE10ADRD2DRD4DRD3AHR
SCHEMBL2066534 0.81 AHR (0.35) PDE10AAHRTLR7NOS3NOS1
SCHEMBL2066059 0.79 PDE10A (0.54) PDE10ADRD2DRD4DRD3HTR1A
SCHEMBL18820482 0.77 PDE10A (0.32) PDE10ADRD2DRD4DRD3HTR1A
SCHEMBL2065574 0.76 PDE10A (0.52) PDE10ADRD2DRD4DRD3HTR1A
SCHEMBL3342789 0.75 PDE10A (0.39) PDE10ADRD2DRD4DRD3HTR1A
SCHEMBL756100 0.73 KDM4E (0.50) PDE10ADRD2DRD4DRD3HTR1A
SCHEMBL3086869 0.72 KDM4E (0.44) PDE10ADRD2DRD4DRD3HTR1A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399381-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-8399381-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-8148524-B2 Process for producing sulfonyl chloride compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-03 US disclosed
EP-1932846-B1 METHOD FOR PRODUCING SULFONYL CHLORIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2010-10-27 EP disclosed
US-7816526-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-19 US disclosed
US-7816526-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-19 US disclosed
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same TANAKA YASUSHI 2010-06-24 US disclosed
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same TANAKA YASUSHI 2010-06-24 US disclosed
EP-1541575-B1 NOVEL PROCESS FOR PRODUCING IMIDAZO(1,2-B)PYRIDAZINE DERIVATIVE SUMITOMO CHEMICAL CO (JP) 2010-03-03 EP disclosed
US-20090247748-A1 PROCESS FOR PRODUCING SULFONYL CHLORIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-01 US disclosed
EP-1466527-B1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
EP-1932846-A1 METHOD FOR PRODUCING SULFONYL CHLORIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-06-18 EP disclosed
US-7307165-B2 Process for producting imidazo[1,2-b]pyridazine derivative SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2007-12-11 US disclosed
US-7307165-B2 Process for producting imidazo[1,2-b]pyridazine derivative SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2007-12-11 US disclosed
US-20050171108-A1 Novel process for producting imidazo[1,2-b]pyridazine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-04 US disclosed
EP-1541575-A1 NOVEL PROCESS FOR PRODUCING IMIDAZO(1,2-B)PYRIDAZINE DERIVATIVE Sumitomo Chemical Takeda Agro Company, Limited (JP) 2005-06-15 EP disclosed
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-10 US disclosed
EP-1466527-A1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-10-13 EP 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 (4 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-20050171108-A1 Novel process for producting imidazo[1,2-b]pyridazine derivative POR, CBR3, NR2C2 PDE10A 4593/4885DRD2 493/4885DRD4 1294/4885
US-20090247748-A1 PROCESS FOR PRODUCING SULFONYL CHLORIDE COMPOUND SALL4, CLCN2, CLIC1 PDE10A 3486/4885DRD2 715/4885DRD4 584/4885
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same NOTUM, WEE1, DDT PDE10A 741/4885DRD2 1087/4885DRD4 1664/4885
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same NOTUM, WEE1, DDT PDE10A 632/4885DRD2 1082/4885DRD4 1741/4885

“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.