SCHEMBL3343233

SCHEMBL3343233

CCCc1ccc2nc(NC(=O)O)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.44
CSNK1D P48730 7/20 0.40
CSNK1E P49674 7/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
KDR P35968 1/20 0.38
RIPK1 Q13546 4/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TTK P33981 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
SCHEMBL26507485 0.83 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGKDR
SCHEMBL12673615 0.78 PIK3CA (0.40) PIK3CACSNK1DCSNK1EPIK3CDPIK3CB
SCHEMBL2068243 0.76 PDE10A (0.53) PDCD1CD274
SCHEMBL2067442 0.76 PDE10A (0.39) PDCD1CD274
SCHEMBL9374217 0.76 TP53 (0.43) PIK3CACSNK1DCSNK1EPIK3CG
SCHEMBL2066636 0.76 PDE10A (0.40) PDCD1CD274
SCHEMBL3486383 0.76 CSNK1D (0.42) PIK3CACSNK1DCSNK1EKDR
SCHEMBL3486298 0.76 PIK3CA (0.40) PIK3CACSNK1DCSNK1EKDR
SCHEMBL12664100 0.75 CSNK1D (0.40) PIK3CACSNK1DCSNK1EPIK3CDPIK3CB
SCHEMBL2065535 0.75 KDM4E (0.41) PIK3CAPDCD1CD274

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
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-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 PIK3CA 3158/4885CSNK1D 3729/4885CSNK1E 3498/4885
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same NOTUM, WEE1, DDT PIK3CA 3213/4885CSNK1D 3665/4885CSNK1E 3366/4885

“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.