SCHEMBL4996101

SCHEMBL4996101

CCOC(=O)c1cnc2c(CC)cc(C#N)cc2c1NCc1ccco1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.66
▸ ALDH1A1 P00352 9/20 0.66
▸ MAPT P10636 7/20 0.66
▸ TSHR P16473 4/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ PDE5A O76074 5/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.62
▸ HPGD P15428 6/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ GAA P10253 2/20 0.42
▸ LMNA P02545 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL7167673 0.85 PDE5A (0.73) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7160498 0.84 PDE5A (0.75) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7164927 0.82 PDE5A (0.73) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7167682 0.82 PDE5A (0.73) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7168952 0.82 PDE5A (0.70) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7164683 0.82 PDE5A (0.75) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL13692560 0.82 MAPT (0.79) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7168877 0.81 PDE5A (0.77) KDM4EALDH1A1MAPTKMT2APDE5A
SCHEMBL7170874 0.81 PDE5A (0.74) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7170900 0.81 PDE5A (0.74) KDM4EALDH1A1MAPTKMT2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384958-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 — — US claimed
US-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 — — US claimed
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 (3 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-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A KDM4E 1553/4885ALDH1A1 525/4885MAPT 4301/4885
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A KDM4E 2418/4885ALDH1A1 301/4885MAPT 4486/4885
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE2A, PDE3A KDM4E 850/4885ALDH1A1 709/4885MAPT 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.

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