SCHEMBL5254328

SCHEMBL5254328

CC1(C)OB(c2ccc(CN3CCOCC3)c(CN3CCOCC3)c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
CYP2C9 P11712 2/20 0.46
ALOX15 P16050 1/20 0.46
CYP2A13 Q16696 6/20 0.44
ROCK1 Q13464 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSB P07858 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LPL P06858 2/20 0.38

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
SCHEMBL2801616 0.89 CYP2A13 (0.51) HSD17B10CYP2C9ALOX15CYP2A13ROCK1
SCHEMBL12909233 0.89 CYP2A13 (0.51) HSD17B10CYP2C9ALOX15CYP2A13KDM4E
SCHEMBL110824 0.88 CYP2A13 (0.58) HSD17B10CYP2C9ALOX15CYP2A13ROCK1
SCHEMBL13957653 0.88 HSD17B10 (0.43) HSD17B10CYP2C9ALOX15CYP2A13ROCK1
SCHEMBL428922 0.88 CYP2A13 (0.50) HSD17B10CYP2C9ALOX15CYP2A13ROCK1
SCHEMBL2800997 0.85 PDE3B (0.45) HSD17B10CYP2C9ALOX15CYP2A13ROCK1
SCHEMBL424879 0.85 TBK1 (0.42) HSD17B10CYP2C9ALOX15CYP2A13ROCK1
SCHEMBL29914797 0.82 MGLL (0.39) HSD17B10CYP2C9ALOX15CYP2A13ROCK1
SCHEMBL29914778 0.82 MGLL (0.39) HSD17B10CYP2C9ALOX15CYP2A13ROCK1
SCHEMBL27159887 0.82 MGLL (0.39) HSD17B10CYP2C9ALOX15CYP2A13ROCK1

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 HSD17B10 4238/4885CYP2C9 3965/4885ALOX15 4823/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 HSD17B10 4238/4885CYP2C9 3965/4885ALOX15 4823/4885

“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.