SCHEMBL7171981

SCHEMBL7171981

CCOC(=O)c1cnc2c(CC)cc(C#N)cc2c1N[C@H](C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.57
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PPP1CA P62136 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
P2RY12 Q9H244 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
ATM Q13315 1/20 0.44
ATR Q13535 1/20 0.44
MAPT P10636 5/20 0.43
THRB P10828 2/20 0.42
ALOX5 P09917 2/20 0.42
HPGD P15428 1/20 0.40

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
SCHEMBL7166890 1.00 PDE5A (0.57) PDE5AKDM4EALDH1A1LMNAALOX15
SCHEMBL7166897 1.00 PDE5A (0.57) PDE5AKDM4EALDH1A1LMNAALOX15
SCHEMBL7165094 0.93 PDE5A (0.57) PDE5AKDM4EALDH1A1LMNAALOX15
SCHEMBL7165099 0.93 PDE5A (0.57) PDE5AKDM4EALDH1A1LMNAALOX15
SCHEMBL7170361 0.91 PDE5A (0.55) PDE5AKDM4EALDH1A1LMNAALOX15
SCHEMBL7170357 0.91 PDE5A (0.55) PDE5AKDM4EALDH1A1LMNAALOX15
SCHEMBL7170660 0.91 PDE5A (0.55) PDE5AKDM4EALDH1A1LMNAALOX15
SCHEMBL7168294 0.88 PDE5A (0.58) PDE5AKDM4EALDH1A1LMNAPIK3CA
SCHEMBL7171734 0.87 PDE5A (0.61) PDE5AKDM4EPIK3CAPIK3CBMTOR
SCHEMBL7164772 0.85 PDE5A (0.58) PDE5AKDM4EPIK3CAPIK3CBMTOR

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 1/4885KDM4E 2418/4885ALDH1A1 301/4885
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE2A, PDE3A PDE5A 1/4885KDM4E 850/4885ALDH1A1 709/4885

“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.