SCHEMBL2215923

SCHEMBL2215923

COc1nccnc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
IKBKB O14920 2/20 0.41
SIRT6 Q8N6T7 1/20 0.40
POLB P06746 1/20 0.40
NNMT P40261 4/20 0.39
TSHR P16473 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL30496336 1.00 CDC7 (0.46) CDC7CCNE1CDK2DBF4IKBKB
SCHEMBL17748308 0.86 NNMT (0.44) CDC7CCNE1CDK2DBF4IKBKB
SCHEMBL30592770 0.81 MAPT (0.47) POLBTSHRCA1CA2ALDH1A1
SCHEMBL1111686 0.81 MAPT (0.47) POLBTSHRCA1CA2ALDH1A1
SCHEMBL336307 0.81 BCHE (0.39) CDC7CCNE1CDK2DBF4POLB
SCHEMBL30748963 0.80 ALOX5 (0.35) CDC7CCNE1CDK2DBF4SIRT6
SCHEMBL27805414 0.80 PARP10 (0.43) IKBKBTSHRPARP10ALDH1A1KMT2A
SCHEMBL20702390 0.80 IKBKB (0.44) CDC7CCNE1CDK2DBF4IKBKB
Hydrochloric Acid SCHEMBL17674838 0.79 MAPT (0.46) POLBTSHRCA1CA2ALDH1A1
SCHEMBL31214279 0.79 NPSR1 (0.48) TSHRCA1CA2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070079392-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US claimed
US-20050004178-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-01-06 US claimed
US-20040142377-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2004-07-22 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
EP-3383493-A1 C5-C6-CARBOCYCLIC FUSED IMINOTHIADIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2018-10-10 EP disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-09-21 US disclosed
US-20050154029-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 US disclosed
US-6902902-B2 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20050004178-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-01-06 US disclosed
US-20040142377-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2004-07-22 US disclosed
US-6291674-B2 REACTING GLYOXAL DERIVATIVE AND AMINOIMIDATE DERIVATIVE TO FORM 3-ALKOXY/ARYLOXY-5-(ALKYL/ARYL)PYRAZINE-2-CARBOXAMIDE; REACTING WITH ALKALI METAL HYPOHALITE TO FORM 3-ALKOXY/ARYLOXY-5-(ALKYL/ARYL)PYRAZINE-2-AMINE LONZA AG (CH) 2001-09-18 US disclosed
US-20010012894-A1 Process for preparing alkoxypyrazine derivatives FUCHS RUDOLF (CH) 2001-08-09 US disclosed
US-6235905-B1 REACTING A GLYOXAL DERIVATIVE WITH A AMINOACETIMIDATE LONZA AG (CH) 2001-05-22 US disclosed
US-6066736-A Process for preparing alkoxypyrazine derivatives LONZA AG (CH) 2000-05-23 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 (11 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-20050154029-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR CDC7 4281/4885CCNE1 4435/4885CDK2 1744/4885
US-20070079392-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR CDC7 4281/4885CCNE1 4435/4885CDK2 1744/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 CDC7 3095/4885CCNE1 1701/4885CDK2 1905/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 CDC7 3917/4885CCNE1 2021/4885CDK2 2625/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 CDC7 3902/4885CCNE1 2047/4885CDK2 2667/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 CDC7 4233/4885CCNE1 2112/4885CDK2 2775/4885
US-20010012894-A1 Process for preparing alkoxypyrazine derivatives CYP3A5, GMDS, CYP3A43 CDC7 2832/4885CCNE1 559/4885CDK2 654/4885
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP CDC7 2541/4885CCNE1 854/4885CDK2 794/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 CDC7 3906/4885CCNE1 2073/4885CDK2 2647/4885
US-20050004178-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR CDC7 4281/4885CCNE1 4435/4885CDK2 1744/4885
US-20040142377-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR CDC7 4281/4885CCNE1 4435/4885CDK2 1744/4885

“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.