SCHEMBL168939

SCHEMBL168939

CCS(=O)(=O)c1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 5/20 0.43
AGPAT2 O15120 1/20 0.42
PDE2A O00408 2/20 0.42
PDE10A Q9Y233 2/20 0.41
PDE7A Q13946 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41
KIT P10721 2/20 0.41
RORC P51449 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR1 P21453 3/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
PTGS2 P35354 2/20 0.36

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
SCHEMBL169041 0.89 PDE2A (0.50) AGPAT2PDE2APDE10APDE7AHTR2B
SCHEMBL9959692 0.86 PDE2A (0.53) DDR1AGPAT2PDE2APDE10ARORC
SCHEMBL10249057 0.85 SMN1; SMN2 (0.42) AGPAT2PDE10APOLBSMN1; SMN2
SCHEMBL168857 0.85 HTR2B (0.58) DDR1PDE2APDE10APDE7AHTR2B
SCHEMBL169484 0.84 PDE10A (0.46) AGPAT2PDE2APDE10APDE7AHTR2B
SCHEMBL355701 0.84 POLB (0.45) DDR1PDE2APDE10APDE7APOLB
SCHEMBL15426450 0.83 DDR1 (0.44) DDR1AGPAT2PDE2ARORCS1PR1
SCHEMBL9914988 0.82 RORC (0.38) DDR1AGPAT2PDE2AHTR2BHTR6
SCHEMBL356013 0.82 PDE10A (0.58) AGPAT2PDE2APDE10APDE7AHTR2B
SCHEMBL4401183 0.81 PDE10A (0.46) AGPAT2PDE2APDE10APDE7AHTR2B

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 DDR1 3993/4885AGPAT2 3286/4885PDE2A 4247/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 DDR1 3993/4885AGPAT2 3286/4885PDE2A 4247/4885

“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.