SCHEMBL7103933

SCHEMBL7103933

O=c1[nH]ccc2c1CCCN2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.56
GRIA2 P42262 1/20 0.56
GRIA3 P42263 1/20 0.56
GRIA4 P48058 1/20 0.56
OR51E2 Q9H255 1/20 0.37
MAP2K1 Q02750 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PSMB5 P28074 1/20 0.34
PARP1 P09874 6/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PRKD1 Q15139 3/20 0.33
ATM Q13315 1/20 0.33
PDPK1 O15530 1/20 0.33
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4382926 0.88 NOTUM (0.42) GRIA1GRIA2GRIA3GRIA4MAP2K1
SCHEMBL4929162 0.74 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4OR51E2
SCHEMBL6781370 0.72 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL706419 0.71
SCHEMBL6015897 0.70 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL917625 0.69 PARP1 (0.43) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL4723110 0.69 PARP1 (0.47) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL5655667 0.69 NOTUM (0.41) GRIA1GRIA2GRIA3GRIA4MAP2K1
SCHEMBL25365116 0.68 PARP1 (0.42) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL31208007 0.68 PARP1 (0.42) GRIA1GRIA2GRIA3GRIA4KDM4E

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-5391554-A Antitumor agent WARNER-LAMBERT COMPANY (US) 1995-02-21 US claimed
WO-1994005664-A1 NAPHTHYRIDINES AS POTENTIATORS OF LETHAL EFFECTS OF RADIATION ON TUMOUR CELLS WARNER-LAMBERT COMPANY (US) 1994-03-17 WO claimed
EP-1307453-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-05-07 EP disclosed
US-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 US disclosed
WO-2002010164-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-02-07 WO disclosed
US-5391554-A Antitumor agent WARNER-LAMBERT COMPANY (US) 1995-02-21 US disclosed
WO-1994005664-A1 NAPHTHYRIDINES AS POTENTIATORS OF LETHAL EFFECTS OF RADIATION ON TUMOUR CELLS WARNER-LAMBERT COMPANY (US) 1994-03-17 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-20020099070-A1 Dihydronaphthyridine potassium channel openers KCNH1, KCNN1, KCNJ2 GRIA1 503/4885GRIA2 1093/4885GRIA3 498/4885

“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.