SCHEMBL169661

SCHEMBL169661

CCOc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
AGPAT2 O15120 1/20 0.42
PDE10A Q9Y233 3/20 0.41
PDE2A O00408 2/20 0.41
PDE7A Q13946 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 2/20 0.40
KIT P10721 1/20 0.39
GRM2 Q14416 1/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 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
SCHEMBL169479 0.92 POLB (0.42) SMN1; SMN2POLBAGPAT2PDE10APDE2A
SCHEMBL357323 0.91 POLB (0.44) SMN1; SMN2POLBAGPAT2PDE10APDE2A
SCHEMBL175678 0.91 POLB (0.42) SMN1; SMN2POLBAGPAT2PDE10APDE2A
SCHEMBL169473 0.89 MAPT (0.43) SMN1; SMN2POLBAGPAT2PDE10APDE2A
SCHEMBL167613 0.89 POLB (0.42) SMN1; SMN2POLBAGPAT2PDE10APDE2A
SCHEMBL169465 0.88 POLB (0.55) SMN1; SMN2POLBAGPAT2PDE10APDE2A
SCHEMBL169889 0.87 LRRK2 (0.43) SMN1; SMN2POLBAGPAT2PDE10APDE2A
SCHEMBL169468 0.86 AGPAT2 (0.41) SMN1; SMN2POLBAGPAT2PDE10APDE2A
SCHEMBL354647 0.86 POLB (0.45) SMN1; SMN2POLBAGPAT2PDE10APDE2A
SCHEMBL10248909 0.85 SMN1; SMN2 (0.48) SMN1; SMN2POLBAGPAT2MAPTKDM4E

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 12 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
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 SMN1; SMN2 1524/4885POLB 4724/4885AGPAT2 3286/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 SMN1; SMN2 1524/4885POLB 4724/4885AGPAT2 3286/4885

“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.