SCHEMBL354052

SCHEMBL354052

CC(=O)c1ccccc1N=C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TRPA1 O75762 1/20 0.36
KMT2A Q03164 2/20 0.35
PBRM1 Q86U86 1/20 0.35
MEN1 O00255 1/20 0.35
NSD2 O96028 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 1/20 0.35
PDK2 Q15119 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ALOX15 P16050 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL29606274 1.00 CYP3A4 (0.50) CYP3A4ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL9957687 0.83 CYP3A4 (0.48) CYP3A4ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL30945800 0.83 CYP3A4 (0.48) CYP3A4ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL14033994 0.82 ALDH1A1 (0.45) CYP3A4ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL9051530 0.82 CYP3A4 (0.48) CYP3A4ALDH1A1KDM4ETRPA1KMT2A
SCHEMBL4687669 0.82 ALDH1A1 (0.52) CYP3A4ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL922165 0.81 TSHR (0.53) CYP3A4ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2137249 0.80 ALDH1A1 (0.45) CYP3A4ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL7429738 0.80 ALDH1A1 (0.51) CYP3A4ALDH1A1KDM4ELMNASMN1; SMN2
Methane SCHEMBL5177350 0.80 ALDH1A1 (0.50) CYP3A4ALDH1A1KDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120012796-A1 CONDUCTIVE FILMS BASED ON GRAPHENE AND PROCESS FOR PREPARING THE SAME NANKAI UNIVERSITY (CN) 2012-01-19 US claimed
US-20230416448-A1 THERMOSETTING EPOXY RESIN COMPOSITION, MOLDED ARTICLE OF SAME, FIBER-REINFORCED COMPOSITE MATERIAL, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIALS, AND METHOD FOR PRODUCING FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES, INC. (JP) 2023-12-28 US disclosed
US-20230416521-A1 THERMOSETTING EPOXY RESIN COMPOSITION, MOLDED ARTICLE FROM THERMOSETTING EPOXY RESIN, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIAL, FIBER-REINFORCED COMPOSITE MATERIAL, AND METHOD FOR PRODUCING FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES, INC. (JP) 2023-12-28 US disclosed
US-20230406994-A1 THERMOSETTING EPOXY RESIN COMPOSITION, MOLDED ARTICLE OF SAME, FIBER-REINFORCED COMPOSITE MATERIAL, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIALS, AND METHOD FOR PRODUCING FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES, INC. (JP) 2023-12-21 US disclosed
EP-4265664-A1 THERMOSETTING EPOXY RESIN COMPOSITION, MOLDED ARTICLE OF SAME, FIBER-REINFORCED COMPOSITE MATERIAL, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIALS, AND METHOD FOR PRODUCING FIBER-REINFORCED COMPOSITE MATERIAL Toray Industries, Inc. (JP) 2023-10-25 EP disclosed
WO-2022124191-A1 THERMOSETTING EPOXY RESIN COMPOSITION, MOLDED ARTICLE FROM THERMOSETTING EPOXY RESIN, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIAL, FIBER-REINFORCED COMPOSITE MATERIAL, AND METHOD FOR PRODUCING FIBER-REINFORCED COMPOSITE MATERIAL 東レ株式会社 2022-06-16 WO disclosed
WO-2022102467-A1 THERMOSETTING EPOXY RESIN COMPOSITION, MOLDED ARTICLE OF SAME, FIBER-REINFORCED COMPOSITE MATERIAL, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIALS, AND METHOD FOR PRODUCING FIBER-REINFORCED COMPOSITE MATERIAL 東レ株式会社 2022-05-19 WO disclosed
EP-2190054-B1 NONAQUEOUS ELECTROLYTE SOLUTION FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2016-10-26 EP disclosed
US-20140127590-A1 NONAQUEOUS ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-08 US disclosed
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
WO-2003022219-A2 BIARYLAMINO PURINE ANTIPROLIFERATIVE AGENTS ALBANY MOLECULAR RESEARCH, INC. (US) 2003-03-20 WO disclosed
WO-2003022805-A2 HETEROCYCLE SUBSTITUTED PURINES AS ANTIPROLIFERATIVE AGENTS ALBANY MOLECULAR RESEARCH, INC. (US) 2003-03-20 WO disclosed
WO-2003022216-A2 BIARYL SUBSTITUTED PURINE DERIVATIVES AS POTENT ANTIPROLIFERATIVE AGENTS ALBANY MOLECULAR RESEARCH, INC. (US) 2003-03-20 WO disclosed
US-20020091263-A1 Biaryl substituted purine derivatives as potent antiproliferative agents ALBANY MOLECULAR RESEARCH, INC. 2002-07-11 US disclosed
EP-1220836-A2 BENZYLCYCLOALKYL AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2002-07-10 EP disclosed
WO-2002041871-A2 COMPOSITION COMPRISING AN IMEXON OR DERIVATIVES THEREOF AND LIPIDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-05-30 WO disclosed
EP-1165561-A1 6-SUBSTITUTED BIARYL PURINE DERIVATIVES AS POTENT CYCLIN/CDK INHIBITORS AND ANTIPROLIFERATIVE AGENTS ALBANY MOLECULAR RESEARCH, INC. (US) 2002-01-02 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
WO-2001028987-A1 BENZYLCYCLOALKYL AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2001-04-26 WO disclosed
WO-2000055161-A1 6-SUBSTITUTED BIARYL PURINE DERIVATIVES AS POTENT CYCLIN/CDK INHIBITORS AND ANTIPROLIFERATIVE AGENTS ALBANY MOLECULAR RESEARCH, INC. (US) 2000-09-21 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 (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-20020091263-A1 Biaryl substituted purine derivatives as potent antiproliferative agents CCNA1, CCNA2, CDK2 CYP3A4 2492/4885ALDH1A1 1931/4885KDM4E 469/4885

“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.