SCHEMBL3342789

SCHEMBL3342789

CC(C)c1ccc2nc(Cl)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
AHR P35869 4/20 0.34
DYRK1A Q13627 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
DRD3 P35462 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL798826 0.83 DYRK1A (0.34) AHRDYRK1A
SCHEMBL2067022 0.80 DYRK1A (0.50) PDE10AAHRDYRK1AKDM4E
SCHEMBL6620552 0.79 KDM4E (0.42) PDE10AAHRDYRK1AHTR1ADRD2
SCHEMBL12891186 0.78 PDE10A (0.43) PDE10AAHR
SCHEMBL756100 0.77 KDM4E (0.50) PDE10AAHRDYRK1AHTR1ADRD2
SCHEMBL18806166 0.76 AHR (0.33) PDE10AAHRDYRK1AKDM4E
SCHEMBL2065644 0.76 DRD2 (0.32) DYRK1AHTR1ADRD2DRD4ADRA1D
SCHEMBL3086869 0.76 KDM4E (0.44) PDE10AAHRDYRK1AHTR1ADRD2
SCHEMBL2065281 0.75 PDE10A (0.50) PDE10AAHRHTR1ADRD2DRD4
SCHEMBL24362734 0.73 MCHR1 (0.32) HTR1ADRD2DRD4ADRA1DADRA1A

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 9 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-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-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
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 (2 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-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same NOTUM, WEE1, DDT PDE10A 741/4885AHR 672/4885DYRK1A 580/4885
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same NOTUM, WEE1, DDT PDE10A 632/4885AHR 820/4885DYRK1A 576/4885

“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.