SCHEMBL354647

SCHEMBL354647

Cn1c(-c2ccncc2OC(C)(C)C)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE2A O00408 8/20 0.44
PDE10A Q9Y233 7/20 0.44
PDE7A Q13946 1/20 0.44
AGPAT2 O15120 1/20 0.43
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
KIT P10721 1/20 0.40
PDE6D O43924 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6G P18545 1/20 0.38
PDE6B P35913 1/20 0.38
PDE6C P51160 1/20 0.38
PDE6H Q13956 1/20 0.38
GRM2 Q14416 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

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
SCHEMBL169465 0.89 POLB (0.55) POLBSMN1; SMN2PDE2APDE10APDE7A
SCHEMBL10248912 0.86 SMN1; SMN2 (0.48) POLBSMN1; SMN2PDE2APDE10AAGPAT2
SCHEMBL357323 0.86 POLB (0.44) POLBSMN1; SMN2PDE2APDE10APDE7A
SCHEMBL169661 0.86 SMN1; SMN2 (0.44) POLBSMN1; SMN2PDE2APDE10APDE7A
SCHEMBL166513 0.86 POLB (0.44) POLBSMN1; SMN2PDE2APDE10APDE7A
SCHEMBL117229 0.84 POLB (0.42) POLBSMN1; SMN2PDE2APDE10APDE7A
SCHEMBL169473 0.84 MAPT (0.43) POLBSMN1; SMN2PDE2APDE10APDE7A
SCHEMBL169479 0.84 POLB (0.42) POLBSMN1; SMN2PDE2APDE10APDE7A
SCHEMBL169419 0.84 AGPAT2 (0.48) POLBSMN1; SMN2PDE2APDE10APDE7A
SCHEMBL356013 0.83 PDE10A (0.58) POLBSMN1; SMN2PDE2APDE10APDE7A

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 10 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
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 POLB 4724/4885SMN1; SMN2 1524/4885PDE2A 4247/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885SMN1; SMN2 1524/4885PDE2A 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.