SCHEMBL4758301

SCHEMBL4758301

c1cn(CCN2CCOCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ACHE P22303 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.43
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KEAP1 Q14145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1759521 0.85 KEAP1 (0.61) TBXAS1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL11008025 0.85 TBXAS1 (0.45) TBXAS1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL11011577 0.84 ACHE (0.60) TBXAS1CYP3A4CYP1A2ACHEEGLN3
SCHEMBL8699805 0.82 ACHE (0.59) TBXAS1CYP3A4CYP1A2ACHEEGLN3
SCHEMBL8510756 0.81 TBXAS1 (0.50) TBXAS1CYP3A4ACHEEGLN3KDM4E
SCHEMBL4744809 0.81 TBXAS1 (0.50) TBXAS1ACHEEGLN3
Hydrochloric Acid SCHEMBL28306929 0.81 ACHE (0.57) TBXAS1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL12780550 0.81 TERT (0.48) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL591937 0.79 TBXAS1 (0.48) TBXAS1CYP3A4CYP2D6ACHEEGLN3
SCHEMBL10294629 0.79 TBXAS1 (0.50) TBXAS1CYP3A4ACHEEGLN3KDM4E

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008005908-A2 PYRIDOIMIDAZOLE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO claimed
US-9878990-B2 Benzylhydroxide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2018-01-30 US disclosed
US-20170313674-A1 BENZYLHYDROXIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2017-11-02 US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
WO-2008005908-A2 PYRIDOIMIDAZOLE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO disclosed
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
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 WO 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
US-4339448-A Imidazole-copper complex compounds and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1982-07-13 US 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 (5 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 TBXAS1 1060/4885CYP3A4 4137/4885CYP2D6 4078/4885
US-20170313674-A1 BENZYLHYDROXIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, CYP27A1 TBXAS1 381/4885CYP3A4 109/4885CYP2D6 33/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 TBXAS1 2053/4885CYP3A4 4279/4885CYP2D6 4501/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 TBXAS1 2050/4885CYP3A4 4228/4885CYP2D6 4436/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 TBXAS1 1060/4885CYP3A4 4137/4885CYP2D6 4078/4885

“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.