SCHEMBL888365

SCHEMBL888365

COC(=O)c1cc2c3c(ccc2[nH]1)CCN3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
MAPKAPK2 P49137 3/20 0.40
XDH P47989 2/20 0.40
ULK1 O75385 1/20 0.40
PARP1 P09874 1/20 0.39
PLK4 O00444 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 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
SCHEMBL4294423 0.83 KDM4E (0.48) CYP1A2MAPK1KDM4EALDH1A1HPGD
SCHEMBL30418263 0.78 XDH (0.44) CYP1A2XDHMAPK1KDM4EGLA
SCHEMBL25508045 0.78 XDH (0.44) CYP1A2XDHMAPK1KDM4EGLA
SCHEMBL533320 0.78 KDM4E (0.46) CYP1A2MAPKAPK2XDHULK1PARP1
SCHEMBL19332290 0.77 MAPT (0.45) CYP1A2MAPKAPK2XDHULK1PARP1
SCHEMBL12388679 0.75 HTR1A (0.43) CYP1A2MAPKAPK2XDHULK1MAPK1
SCHEMBL6323401 0.75 HTR1A (0.43) CYP1A2MAPKAPK2XDHULK1KDM4E
SCHEMBL13210017 0.73 HTR1A (0.42) CYP1A2MAPKAPK2XDHULK1PARP1
SCHEMBL6332160 0.72 XDH (0.38) CYP1A2MAPKAPK2XDHULK1KDM4E
SCHEMBL3606511 0.71 RAB9A (0.50) CYP1A2XDHULK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465921-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2013-06-18 US disclosed
US-20110275070-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH PHARMACEUTICALS, INC. 2011-11-10 US disclosed
CN-101914099-A Covalently linked oligonucleotide minor groove binder conjugates EPOCH BIOSCIENCES INC 2010-12-15 CN disclosed
US-7794945-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2010-09-14 US disclosed
US-7556923-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-07-07 US disclosed
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2009-02-19 US disclosed
EP-0819133-B1 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES EPOCH BIOSCIENCES INC (US) 2008-01-02 EP disclosed
CN-1644585-A Covalently linked oligonucleotide minor grove binder conjugates EPOCH PHARMACEUTICALS INC (US) 2005-07-27 CN disclosed
US-6884584-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2005-04-26 US disclosed
US-20050064463-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders DRUG ROYALTY LP1 (CA) 2005-03-24 US disclosed
CN-1187363-C Covalently bound oligonucleotide minor groove binder conjugates IBORCH PHARMACEUTICAL CORP (US) 2005-02-02 CN disclosed
US-20040058322-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH PHARMACEUTICALS, INC. (US) 2004-03-25 US disclosed
US-6492346-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH PHARMACEUTICALS, INC. 2002-12-10 US disclosed
US-6486308-B2 NUCLEOTIDE SEQUENCE BINDING PARTICLES; FOR USE AS THERAPEUTIC AND DIAGNOSTIC TOOLS EPOCH BIOSCIENCES, INC. 2002-11-26 US disclosed
US-6426408-B1 PLURALITY OF NUCLEOTIDE UNITS WITH LINKING GROUP EPOCH BIOSCIENCES, INC. 2002-07-30 US disclosed
US-20020052482-A1 Covalently linked oligonucleotide minor grove binder conjugates MICROPROBE 2002-05-02 US disclosed
US-6312894-B1 HYBRIDIZATION OF OLIGONUCLEOTIDES AND MINOR GROOVE BINDER COMBINATION; WHERE THE MINOR GROOVE BINDER BINDS IN A NON-INTERCALATING MANNER WITH A HIGHER ASSOCIATION CONSTANT EPOCH PHARMACEUTICALS, INC. 2001-11-06 US disclosed
US-6084102-A THE OLIGONUCLEOTIDE IS COMPLEMENTARY TO A TARGET SEQUENCE OF SINGLE STRANDED OR DOUBLE STRANDED DNA, RNA OR HYBRIDS AND, WHEN USED AS A PROBE, BINDS MORE STRONGLY BECAUSE OF THE BOUND MINOR GROVE BINDER; MEDICAL DIAGNOSIS; ANTISENSE THERAPY EPOCH PHARMACEUTICALS, INC. (US) 2000-07-04 US disclosed
US-5801155-A Covalently linked oligonucleotide minor grove binder conjugates EPOCH PHARMACEUTICALS, INC. (US) 1998-09-01 US disclosed
CN-1186496-A Covalently bound oligonucleotide minor groove binder conjugates IBORCH PHARMACEUTICAL CORP (US) 1998-07-01 CN 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 (3 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-20020052482-A1 Covalently linked oligonucleotide minor grove binder conjugates CD2BP2, MICA, SELPLG CYP1A2 4497/4885MAPKAPK2 4606/4885XDH 4637/4885
US-20050064463-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders DDB1, LIG3, MSH2 CYP1A2 4837/4885MAPKAPK2 4559/4885XDH 4855/4885
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 CYP1A2 4837/4885MAPKAPK2 4559/4885XDH 4855/4885

“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.