SCHEMBL5360622

SCHEMBL5360622

CCCc1nn(C)c2c(-c3ccc(SC)cc3)nc(-c3ccc(F)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.39
MAPK12 P53778 10/20 0.39
MAPK11 Q15759 10/20 0.39
MAPK14 Q16539 10/20 0.39
GCGR P47871 4/20 0.39
PDE5A O76074 3/20 0.39
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
LCK P06239 1/20 0.35
RET P07949 1/20 0.35
ALOX5 P09917 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MATK P42679 1/20 0.35
FRK P42685 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
SCHEMBL5377740 0.88 PDE5A (0.41) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5410928 0.88 PDE5A (0.51) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5361630 0.83 PTGS2 (0.43)
SCHEMBL6103493 0.80 PDE5A (0.39) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5361647 0.79 PDE5A (0.43) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5371349 0.79 MTOR (0.40) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5355823 0.79 PDE5A (0.41) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5369656 0.79 PDE5A (0.38) PDE5ACNR2NPC1HTTRAB9A
SCHEMBL5333399 0.76 PDE5A (0.41) PDE5ANPC1HTTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5372075 0.76 PDE5A (0.40) PDE5ANPC1HTTRAB9ASMN1; SMN2

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
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP claimed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO claimed
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP disclosed
US-7125875-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 US disclosed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 US 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 (1 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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG MAPK13 2426/4885MAPK12 2527/4885MAPK11 2343/4885

“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.