SCHEMBL5256283

SCHEMBL5256283

CCN1CCN(CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.60
LIPG Q9Y5X9 8/20 0.60
SIGMAR1 Q99720 2/20 0.48
F11 P03951 2/20 0.43
KCNJ1 P48048 2/20 0.43
KCNH2 Q12809 2/20 0.43
ESR2 Q92731 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 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
SCHEMBL28329043 0.90 LPL (0.58) LPLLIPGSIGMAR1F11KCNJ1
SCHEMBL1354431 0.88 LPL (0.59) LPLLIPGSIGMAR1F11ESR2
SCHEMBL28327797 0.87 LPL (0.58) LPLLIPGSIGMAR1F11HRH3
SCHEMBL586178 0.86 LPL (0.56) LPLLIPGSIGMAR1F11ESR2
SCHEMBL5254853 0.85 LPL (0.55) LPLLIPGF11ESR2
Hydrochloric Acid SCHEMBL27248303 0.84 LPL (0.55) LPLLIPGSIGMAR1F11ESR2
SCHEMBL24265977 0.83 LIPG (0.54) LPLLIPGSIGMAR1F11ESR2
SCHEMBL28327814 0.83 LIPG (0.50) LPLLIPGF11KCNJ1KCNH2
SCHEMBL24495034 0.82 SPHK1 (0.54) LPLLIPGF11KCNH2ESR2
SCHEMBL28621374 0.82 LIPG (0.52) LPLLIPGSIGMAR1F11KCNJ1

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
EP-1268431-B1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-08-29 EP disclosed
US-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH 2004-09-09 US disclosed
US-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 US disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 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 (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-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 LPL 4777/4885LIPG 3829/4885SIGMAR1 1773/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 LPL 4777/4885LIPG 3829/4885SIGMAR1 1773/4885

“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.