SCHEMBL2068243

SCHEMBL2068243

CCCc1ccc2nc(C)cn2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.53
DYRK1A Q13627 1/20 0.47
COMT P21964 1/20 0.40
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AHR P35869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL21386281 0.89 PDE10A (0.50) PDE10ADYRK1ACOMTTP53MAPT
SCHEMBL2066636 0.86 PDE10A (0.40) PDE10ADYRK1APDCD1CD274TP53
SCHEMBL3151360 0.86 DYRK1A (0.50) PDE10ADYRK1ACOMTPDCD1CD274
SCHEMBL2067442 0.83 PDE10A (0.39) PDE10ADYRK1APDCD1CD274TP53
SCHEMBL2066211 0.81 PDE10A (0.38) PDE10ADYRK1APDCD1CD274TP53
SCHEMBL2066059 0.81 PDE10A (0.54) PDE10APDCD1CD274AHR
SCHEMBL2066941 0.81 PDE10A (0.38) PDE10ADYRK1APDCD1CD274AHR
SCHEMBL21120069 0.81 DYRK1A (0.49) PDE10ADYRK1ACOMTPDCD1CD274
SCHEMBL2066057 0.79 PDE10A (0.36) PDE10APDCD1CD274KDM4E
SCHEMBL2066236 0.78 PDE10A (0.38) PDE10AAHRKDM4EHSD17B10

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 4593/4885DYRK1A 1821/4885COMT 3482/4885
US-20090247748-A1 PROCESS FOR PRODUCING SULFONYL CHLORIDE COMPOUND SALL4, CLCN2, CLIC1 PDE10A 3486/4885DYRK1A 1927/4885COMT 3347/4885
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same NOTUM, WEE1, DDT PDE10A 741/4885DYRK1A 580/4885COMT 2282/4885
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same NOTUM, WEE1, DDT PDE10A 632/4885DYRK1A 576/4885COMT 2750/4885

“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.