SCHEMBL663907

SCHEMBL663907

CCOC(=O)/C=C/CN(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.46
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.36
MDM2 Q00987 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 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
SCHEMBL663908 1.00 HCAR2 (0.52) HCAR2MAPTALDH1A1TTRDPP4
Hydrochloric Acid SCHEMBL665362 0.98 MAPT (0.50) HCAR2MAPTALDH1A1TTRDPP4
Hydrochloric Acid SCHEMBL665363 0.98 MAPT (0.50) HCAR2MAPTALDH1A1TTRDPP4
Water SCHEMBL28234797 0.96 MAPT (0.49) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL21005410 0.84 MAPT (0.49) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL27791479 0.84 HCAR2 (0.55) HCAR2MAPTALDH1A1NPSR1ATM
SCHEMBL16888855 0.81 ATM (0.66) HCAR2MAPTALDH1A1NPSR1ATM
SCHEMBL6868446 0.80 MAPT (0.53) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL17315765 0.79 MAPT (0.47) HCAR2MAPTALDH1A1CYP3A4ATM
SCHEMBL17315766 0.79 MAPT (0.47) HCAR2MAPTALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105968103-B The synthetic method of anti-tumor drug Afatinib 山东罗欣药业集团恒欣药业有限公司 2018-11-27 CN claimed
US-9758471-B2 Process for the preparation of 4-dimethylaminocrotonic acid SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-09-12 US claimed
US-20170107172-A1 PROCESS FOR THE PREPARATION OF 4-DIMETHYLAMINOCROTONIC ACID SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-04-20 US claimed
EP-3148977-A1 PROCESS FOR THE PREPARATION OF 4-DIMETHYLAMINOCROTONIC ACID Sun Pharmaceutical Industries Ltd (IN) 2017-04-05 EP claimed
WO-2015186065-A1 PROCESS FOR THE PREPARATION OF 4-DIMETHYLAMINOCROTONIC ACID SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2015-12-10 WO claimed
CN-105061243-A Synthesis method for 4-dimethylamino crotonic acid CHU CHAOSEN 2015-11-18 CN claimed
US-8779192-B2 Process of preparing an alkylamine derivative KOLON LIFE SCIENCE, INC. 2014-07-15 US claimed
US-20120046494-A1 METHOD OF PREPARING AN ALKYLAMINE DERIVATIVE KOLON LIFE SCIENCE, INC. (KR) 2012-02-23 US claimed
WO-2024044570-A1 COMPOUNDS AND METHODS FOR MODULATING HER2 IAMBIC THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-11-30 US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-11807649-B2 Fused tetracyclic quinazoline derivatives as inhibitors of ErbB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230227458-A1 IRREVERSIBLE INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. 2023-07-20 US disclosed
US-11702421-B2 Substituted pyridines as irreversible inhibitors of menin-MLL interaction BIOMEA FUSION, LLC (US) 2023-07-18 US disclosed
US-20120046494-A1 METHOD OF PREPARING AN ALKYLAMINE DERIVATIVE KOLON LIFE SCIENCE, INC. (KR) 2012-02-23 US disclosed
US-20120046494-A1 METHOD OF PREPARING AN ALKYLAMINE DERIVATIVE KOLON LIFE SCIENCE, INC. (KR) 2012-02-23 US disclosed
US-7126025-B2 Synthesis of 4-(amino)-2-butenoyl chlorides and their use in the preparation of 3-cyano quinolines WYETH (US) 2006-10-24 US disclosed
EP-1585479-A2 SYNTHESIS OF 4AMINO-2-BUTENOYL CHLORIDES AND THEIR USE IN THE PREPARATION OF 3-CYANO QUINOLINES Wyeth (US) 2005-10-19 EP disclosed
US-20040162442-A1 Synthesis of 4-(amino)-2-butenoyl chlorides and their use in the preparation of 3-cyano quinolines WYETH (US) 2004-08-19 US disclosed
WO-2004066919-A2 SYNTHESIS OF 4AMINO-2-BUTENOYL CHLORIDES AND THEIR USE IN THE PREPARATION OF 3-CYANO QUINOLINES WYETH (US) 2004-08-12 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 (8 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-20230227458-A1 IRREVERSIBLE INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HCAR2 3236/4885MAPT 2253/4885ALDH1A1 4440/4885
US-11702421-B2 Substituted pyridines as irreversible inhibitors of menin-MLL interaction MLLT1, MEN1, MLLT3 HCAR2 2562/4885MAPT 3285/4885ALDH1A1 4225/4885
US-20120046494-A1 METHOD OF PREPARING AN ALKYLAMINE DERIVATIVE INMT, PNMT, ALKBH2 HCAR2 3189/4885MAPT 4277/4885ALDH1A1 802/4885
US-20170107172-A1 PROCESS FOR THE PREPARATION OF 4-DIMETHYLAMINOCROTONIC ACID EGFR, MET, ABL1 HCAR2 639/4885MAPT 3324/4885ALDH1A1 452/4885
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 HCAR2 439/4885MAPT 1075/4885ALDH1A1 2594/4885
US-11807649-B2 Fused tetracyclic quinazoline derivatives as inhibitors of ErbB2 ERBB2, ERBB3, BRCA1 HCAR2 3616/4885MAPT 2985/4885ALDH1A1 4139/4885
US-20040162442-A1 Synthesis of 4-(amino)-2-butenoyl chlorides and their use in the preparation of 3-cyano quinolines HBS1L, ATXN2L, ASNS HCAR2 2952/4885MAPT 4587/4885ALDH1A1 1106/4885
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, BRCA1 HCAR2 3616/4885MAPT 2985/4885ALDH1A1 4139/4885

“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.