SCHEMBL7168294

SCHEMBL7168294

CCOC(=O)c1cnc2c(CC)cc(C#N)cc2c1NC(C)c1cc(OC)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.58
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
ATM Q13315 1/20 0.40
ATR Q13535 1/20 0.40
MAPT P10636 8/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.38
NMT1 P30419 1/20 0.38
DPP4 P27487 1/20 0.38
BRAF P15056 1/20 0.37

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
SCHEMBL7166897 0.88 PDE5A (0.57) PDE5APIK3CAPIK3CBMTORPIK3CG
SCHEMBL7171981 0.88 PDE5A (0.57) PDE5APIK3CAPIK3CBMTORPIK3CG
SCHEMBL7166890 0.88 PDE5A (0.57) PDE5APIK3CAPIK3CBMTORPIK3CG
SCHEMBL7165099 0.88 PDE5A (0.57) PDE5APIK3CAPIK3CBMTORPIK3CG
SCHEMBL7165094 0.88 PDE5A (0.57) PDE5APIK3CAPIK3CBMTORPIK3CG
SCHEMBL7170357 0.87 PDE5A (0.55) PDE5APIK3CAPIK3CBMTORPIK3CG
SCHEMBL7170361 0.87 PDE5A (0.55) PDE5APIK3CAPIK3CBMTORPIK3CG
SCHEMBL7170660 0.87 PDE5A (0.55) PDE5APIK3CAPIK3CBMTORPIK3CG
SCHEMBL7170900 0.84 PDE5A (0.74) PDE5AMAPTTP53SMN1; SMN2KDM4E
SCHEMBL7171734 0.82 PDE5A (0.61) PDE5APIK3CAPIK3CBMTORPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase BI YINGZHI (US) 2003-12-04 US claimed
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2002-11-28 US claimed

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-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885PIK3CA 2111/4885PIK3CB 1433/4885
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE2A, PDE3A PDE5A 1/4885PIK3CA 2001/4885PIK3CB 1333/4885

“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.