SCHEMBL169041

SCHEMBL169041

Cn1c(-c2ccncc2S(C)(=O)=O)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.50
PDE10A Q9Y233 3/20 0.42
PTGS2 P35354 3/20 0.42
PDE7A Q13946 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
KIT P10721 2/20 0.42
AGPAT2 O15120 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC22A12 Q96S37 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
ATM Q13315 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALOX5AP P20292 1/20 0.35

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
SCHEMBL168939 0.89 DDR1 (0.43) PDE2APDE10APTGS2PDE7AHTR2B
SCHEMBL10248950 0.85 SMN1; SMN2 (0.43) PDE10APTGS2AGPAT2POLBSMN1; SMN2
SCHEMBL169054 0.84 HTR2B (0.60) PDE2APDE10APDE7AHTR2BHTR6
SCHEMBL356013 0.83 PDE10A (0.58) PDE2APDE10APDE7AHTR2BHTR6
SCHEMBL116514 0.83 POLB (0.41) PDE2APDE10APTGS2PDE7APOLB
SCHEMBL167106 0.82 PDE10A (0.46) PDE2APDE10APDE7AHTR2BHTR6
SCHEMBL4401183 0.82 PDE10A (0.46) PDE2APDE10APDE7AHTR2BHTR6
SCHEMBL169484 0.82 PDE10A (0.46) PDE2APDE10APDE7AHTR2BHTR6
SCHEMBL4400124 0.81 PDE10A (0.45) PDE2APDE10APDE7AHTR2BHTR6
SCHEMBL169419 0.81 AGPAT2 (0.48) PDE2APDE10APDE7AHTR2BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
EP-2424856-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
WO-2010125985-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 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 (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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PDE2A 4247/4885PDE10A 4112/4885PTGS2 2157/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PDE2A 4247/4885PDE10A 4112/4885PTGS2 2157/4885

“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.