SCHEMBL404674

SCHEMBL404674

COc1ccc(N)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 1/20 0.52
KDM4E B2RXH2 4/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
THRB P10828 2/20 0.47
GAA P10253 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 1/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44

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
SCHEMBL627816 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4KDM4EUSP2MAPT
SCHEMBL5073657 0.83 NR4A1 (0.54) ALDH1A1CYP3A4KDM4EUSP2MAPT
SCHEMBL11481973 0.82 NR4A1 (0.52) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL7287393 0.81 MAOB (0.51) ALDH1A1CYP3A4KDM4EUSP2MAPT
SCHEMBL108848 0.81 PGR (0.59) ALDH1A1CYP3A4KDM4EMAPTKMT2A
SCHEMBL5361453 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2MAPTMEN1
SCHEMBL9560109 0.81 MAOB (0.57) ALDH1A1KDM4EUSP2MEN1KMT2A
SCHEMBL16007284 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4KDM4EMAPTMEN1
SCHEMBL2656322 0.79 CYP1A2 (0.43) ALDH1A1CYP3A4KDM4EUSP2KMT2A
SCHEMBL11796509 0.79 MEN1 (0.54) ALDH1A1CYP3A4KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440013-A Preparation method of quinazoline diketone compound 安顺学院 2024-08-06 CN claimed
CN-108640919-B Matrine derivative and sophoridine derivative containing aryl amidine or aminoquinoline structure and preparation method thereof 广西大学 2020-09-08 CN claimed
WO-2025227032-A1 METHODS FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-10-30 WO disclosed
EP-3796905-B1 ESTROGEN RECEPTOR BETA LIGANDS FOR THE PREVENTION AND TREATMENT OF MULTIPLE SCLEROSIS (MS) AND OTHER DEMYELINATING, INFLAMMATORY AND NEURODEGENERATIVE DISEASES UNIV ILLINOIS (US) 2025-08-06 EP disclosed
EP-2603098-B1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED (US) 2025-08-06 EP disclosed
US-20250223264-A1 ESTROGEN RECEPTOR BETA LIGANDS FOR THE PREVENTION AND TREATMENT OF MULTIPLE SCLEROSIS (MS) AND OTHER DEMYELINATING, INFLAMMATORY AND NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-07-10 US disclosed
US-12286407-B2 Estrogen receptor beta ligands for the prevention and treatment of multiple sclerosis (MS) and other demyelinating, inflammatory and neurodegenerative diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-04-29 US disclosed
US-20250129086-A1 COMPOUND FOR DEGRADING EGFR PROTEIN AND USE THEREOF TYK MEDICINES, INC. (CN) 2025-04-24 US disclosed
CN-119768407-A Protein phosphatase agonist and application thereof 南京中瑞药业有限公司 2025-04-04 CN disclosed
WO-2025062157-A1 NEW TREATMENTS FOR PAIN SEVENLESS THERAPEUTICS LIMITED (GB) 2025-03-27 WO disclosed
EP-4434978-A1 COMPOUND FOR DEGRADING EGFR PROTEIN AND USE THEREOF TYK Medicines Inc. (CN) 2024-09-25 EP disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 US disclosed
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 US disclosed
US-6172078-B1 PREVENTING WORSENING OF CEREBRAL STROKE; ANTIISCHEMIC AGENTS; BRAIN DISORDERS TORAY INDUSTRIES, INC. (JP) 2001-01-09 US disclosed
EP-0911334-A1 QUINOLINOMORPHINANE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1999-04-28 EP disclosed
US-4713383-A ADENOSINE AND BENZODIAZEPINE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1987-12-15 US disclosed
US-4647565-A 2-(2-quinazolinylaminoalkoxymethyl)-1,4-dihydropyridine derivatives as cardiovascular agents PFIZER INC. (US) 1987-03-03 US disclosed
EP-0168151-A1 Dihydropyridine cardiovascular agents Pfizer Limited (GB) 1986-01-15 EP disclosed
US-3987192-A ANTIALLERGENS AND ANTIANAPHYLAXID; 2'-CYANO-OXANILIC ACID THE UPJOHN COMPANY (US) 1976-10-19 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 (4 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-12286407-B2 Estrogen receptor beta ligands for the prevention and treatment of multiple sclerosis (MS) and other demyelinating, inflammatory and neurodegenerative diseases ESR2, ESRRG, GPER1 ALDH1A1 1027/4885CYP3A4 1246/4885KDM4E 1046/4885
US-20250129086-A1 COMPOUND FOR DEGRADING EGFR PROTEIN AND USE THEREOF EGFR, ERBB2, ERBB4 ALDH1A1 2252/4885CYP3A4 1269/4885KDM4E 893/4885
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production BACE1, APP, GABRE ALDH1A1 1335/4885CYP3A4 1181/4885KDM4E 2757/4885
US-20250223264-A1 ESTROGEN RECEPTOR BETA LIGANDS FOR THE PREVENTION AND TREATMENT OF MULTIPLE SCLEROSIS (MS) AND OTHER DEMYELINATING, INFLAMMATORY AND NEURODEGENERATIVE DISEASES ESR2, ESRRG, GPER1 ALDH1A1 1027/4885CYP3A4 1246/4885KDM4E 1046/4885

“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.