SCHEMBL6469349

SCHEMBL6469349

CC(C)(C)OC(=O)N1CCNCC1c1ncnc(Cl)c1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
HPGDS O60760 3/20 0.36
TSHR P16473 4/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR119 Q8TDV5 3/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
MAP4K4 O95819 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
EPHA2 P29317 1/20 0.31

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
SCHEMBL30975054 0.79 BTK (0.39) PARP1JAK2JAK1TYK2JAK3
SCHEMBL3245906 0.78 PARP1 (0.39) PARP1TSHRLMNAALDH1A1MEN1
SCHEMBL29611977 0.77 TSHR (0.36) PARP1TSHRLMNAALDH1A1MAPT
SCHEMBL30826881 0.77 PARP1 (0.35) PARP1TSHRLMNAMAPTMEN1
SCHEMBL28507911 0.76 SSTR4 (0.40) PARP1TSHRLMNAALDH1A1MEN1
SCHEMBL30826990 0.76 PARP1 (0.37) PARP1TSHRLMNAALDH1A1MAPT
SCHEMBL31310721 0.74 PARP1 (0.40) PARP1TSHRLMNAALDH1A1POLB
SCHEMBL30618068 0.74 GPR119 (0.36) PARP1TSHRLMNAMAPTMEN1
SCHEMBL2798262 0.73 MAP4K4 (0.41) PARP1MEN1KMT2AMAP4K4JAK3
SCHEMBL14686612 0.73 PARP1 (0.40) PARP1TSHRLMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
EP-1057867-B1 RESIN DISPERSION, METHOD OF PREPARING THE SAME, RESIN-COATED METAL SHEET OBTAINED WITH THE SAME, AND PROCESS FOR PRODUCING LAMINATE MITSUI CHEMICALS INC (JP) 2005-04-20 EP disclosed
US-6833045-B1 Solid particles of graft modified ethylene/ alpha -olefin copolymer dispersed in solvent; adhesive for packaging; coatings, primers MITSUI CHEMICALS, INC. (JP) 2004-12-21 US disclosed
EP-0924223-B1 Catalyst component, catalyst and process for ethylenically unsaturated monomer polymerization MITSUI CHEMICALS INC (JP) 2004-05-19 EP disclosed
US-6579935-B1 Ethylene-alpha-olefin polymer grafted with an acrylic acid monomer; metallocene; impact resistance at low temperatures, stiffness, fracture toughness (tensile toughness) MITSUI CHEMICALS, INC. (JP) 2003-06-17 US disclosed
US-6444603-B1 CATALYST COMPONENT OBTAINED BY REACTING COMPOUND COMPRISING METAL OF GROUP 13 OF PERIODIC TABLE, COMPOUND CAPABLE OF BEING BONDED TO TWO OR MORE OF GROUP 13 METAL, COMPOUND CAPABLE OF FORMING IONIZING IONIC COMPOUND WITH GROUP 13 COMPOUND MITSUI CHEMICALS, INC. (JP) 2002-09-03 US disclosed
US-6194114-B1 BINDER RESIN, COLORANT, AND RELEASING AGENT COMPRISING AN ETHYLENE-AROMATIC VINYL COMPOUND RANDOM COPOLYMER HAVING NO C-NMR PEAK DUE TO AROMATIC VINYL-TO-AROMATIC VINYL BLOCK MADE WITH A METALLOCENE CATALYST; OFFSET RESISTANCE MITSUI CHEMICALS, INC. (JP) 2001-02-27 US disclosed
EP-1057867-A1 RESIN DISPERSION, METHOD OF PREPARING THE SAME, RESIN-COATED METAL SHEET OBTAINED WITH THE SAME, AND PROCESS FOR PRODUCING LAMINATE Mitsui Chemicals, Inc. (JP) 2000-12-06 EP disclosed
US-6133490-A WAX OF COPOLYMER OF ETHYLENE WITH AN AROMATIC VINYL COMPOUND. MITSUI CHEMICALS INC. (JP) 2000-10-17 US disclosed
EP-0924223-A2 Catalyst component, catalyst and process for ethylenically unsaturated monomer polymerization Mitsui Chemicals, Inc. (JP) 1999-06-23 EP disclosed
EP-0896983-A1 PIGMENT DISPERSANT FOR AROMATIC POLYMERS Mitsui Chemicals, Inc. (JP) 1999-02-17 EP disclosed
EP-0638594-B1 Chlorinated ethylene/alpha-olefin copolymer rubber and composition containing the same MITSUI CHEMICALS INC (JP) 1998-12-02 EP disclosed
EP-0870801-A1 ALPHA-OLEFIN/AROMATIC VINYL COPOLYMER COMPOSITION AND MOLDINGS THEREOF Mitsui Chemicals, Inc. (JP) 1998-10-14 EP disclosed
EP-0869146-A1 ETHYLENE COPOLYMER COMPOSITION AND MOLDINGS Mitsui Chemicals, Inc. (JP) 1998-10-07 EP disclosed
US-5470919-A Seals with ozone resistance, heat aging resistance, oil resistance and weatherproofing MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-11-28 US disclosed
EP-0638594-A1 Chlorinated ethylene/alpha-olefin copolymer rubber and composition containing the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP 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-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 PARP1 1733/4885HPGDS 1387/4885TSHR 2389/4885

“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.