SCHEMBL9980512

SCHEMBL9980512

COC(=O)C(C)(Br)c1ncc(C)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
GUCY1B2 O75343 2/20 0.33
GUCY1A2 P33402 2/20 0.33
GUCY1A1 Q02108 2/20 0.33
GUCY1B1 Q02153 2/20 0.33
PIK3CG P48736 2/20 0.32
PIK3CA P42336 1/20 0.32
MEN1 O00255 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.31
DGAT1 O75907 1/20 0.31
PLCG1 P19174 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KCNN4 O15554 1/20 0.30

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
SCHEMBL31292229 0.85 PLCG1 (0.37) CYP2C19GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL9980507 0.75 PLCG1 (0.34) CYP2C19GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL31292378 0.72 FAAH (0.34) PIK3CGPIK3CAMEN1KMT2A
SCHEMBL17454574 0.70 PLCG1 (0.31) PLCG1
SCHEMBL13561292 0.70 PIK3CG (0.40) PIK3CG
SCHEMBL9987530 0.70 PTPRB (0.38) CYP2C19GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL11915955 0.69 PIK3CG (0.43) PIK3CGPIK3CA
SCHEMBL16505653 0.67 MAP3K14 (0.33) PIK3CG
SCHEMBL26687733 0.66 LRRK2 (0.35) PIK3CG
SCHEMBL2141020 0.66 MAPK1 (0.43) MAPK1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365574-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
EP-2575473-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-01-20 EP disclosed
EP-2575473-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2013-04-10 EP disclosed
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-03-21 US disclosed
WO-2011149921-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 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 (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-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE2A CYP2C19 856/4885GUCY1B2 9/4885GUCY1A2 1/4885

“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.