SCHEMBL7168877

SCHEMBL7168877

CCOC(=O)c1cnc2c(CC)cc(C#N)cc2c1NCc1ccc(OC)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.77
GAA P10253 2/20 0.58
MAPT P10636 8/20 0.57
ALDH1A1 P00352 5/20 0.57
LMNA P02545 4/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
VNN1 O95497 2/20 0.48
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL7170900 0.93 PDE5A (0.74) PDE5AGAAMAPTALDH1A1LMNA
SCHEMBL7160498 0.92 PDE5A (0.75) PDE5AGAAMAPTALDH1A1LMNA
SCHEMBL7170790 0.91 PDE5A (0.69) PDE5AGAAMAPTALDH1A1LMNA
SCHEMBL7164927 0.90 PDE5A (0.73) PDE5AGAAMAPTALDH1A1LMNA
SCHEMBL7167682 0.90 PDE5A (0.73) PDE5AGAAMAPTALDH1A1LMNA
SCHEMBL7167673 0.90 PDE5A (0.73) PDE5AMAPTALDH1A1LMNAHPGD
SCHEMBL7168464 0.90 PDE5A (0.68) PDE5AGAAMAPTALDH1A1LMNA
SCHEMBL7170669 0.89 PDE5A (0.74) PDE5AGAAMAPTALDH1A1LMNA
SCHEMBL7889438 0.89 PDE5A (0.62) PDE5AGAAMAPTALDH1A1LMNA
SCHEMBL7164783 0.89 PDE5A (0.71) PDE5AGAAMAPTALDH1A1LMNA

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 3 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-6576644-B2 Treating sexual dysfunction including erectile dysfunction, diabetes melitus, gastrointestinal disorders, including gastric paresis and cardiovascular disorders; cyclic guanosine 3',5'-monophosphate (cGMP) BRISTOL-MYERS SQUIBB CO. 2003-06-10 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 1/4885GAA 436/4885MAPT 4486/4885
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE2A, PDE3A PDE5A 1/4885GAA 210/4885MAPT 4376/4885

“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.