SCHEMBL6620440

SCHEMBL6620440

COc1cc(N(C)CCCNC(Cc2ccccc2)c2c[nH]c3ccccc23)nc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GHSR Q92847 1/20 0.36
HAT1 O14929 5/20 0.36
EP300 Q09472 5/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
LMNA P02545 1/20 0.34
SLC2A1 P11166 1/20 0.34
CCKBR P32239 1/20 0.34
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL6621923 0.84 MAPT (0.37) P2RY12MAPTNPSR1KMT2AMEN1
SCHEMBL6618769 0.83 SLC2A1 (0.47) P2RY12MAPTNPSR1GHSRHAT1
SCHEMBL6620657 0.76 SLC2A1 (0.43) P2RY12MAPTNPSR1GHSRKMT2A
SCHEMBL6622462 0.76 MAPT (0.38) P2RY12MAPTNPSR1GHSRKMT2A
SCHEMBL6619599 0.76 SLC2A1 (0.52) P2RY12MAPTNPSR1GHSRKMT2A
SCHEMBL6621344 0.76 SLC2A1 (0.51) P2RY12MAPTNPSR1GHSRKMT2A
SCHEMBL6618499 0.75 SLC2A1 (0.48) P2RY12MAPTNPSR1GHSRKMT2A
SCHEMBL6621908 0.74 SLC2A1 (0.49) P2RY12MAPTNPSR1GHSRHAT1
SCHEMBL6624640 0.74 SLC2A1 (0.49) P2RY12MAPTNPSR1GHSRHAT1
SCHEMBL6618356 0.74 SLC2A1 (0.49) P2RY12MAPTNPSR1GHSRHAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818655-B2 2-AMINOQUINOLINES; CARDIOVASCULAR, GASTROINTESTINAL, PYSCHOLOGICAL, RESPIRATORY AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-11-16 US claimed
US-20040063757-A1 Urotensin-ll receptor antagonists SMITHKLINEE BEECHAM CORPORATION 2004-04-01 US claimed
US-6818655-B2 2-AMINOQUINOLINES; CARDIOVASCULAR, GASTROINTESTINAL, PYSCHOLOGICAL, RESPIRATORY AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
EP-1359915-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2004-07-21 EP disclosed
US-20040063757-A1 Urotensin-ll receptor antagonists SMITHKLINEE BEECHAM CORPORATION 2004-04-01 US disclosed
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP disclosed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 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-20040063757-A1 Urotensin-ll receptor antagonists UTS2R, PLAUR, SCTR P2RY12 426/4885MAPT 2920/4885NPSR1 67/4885

“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.