SCHEMBL1128869

SCHEMBL1128869

CC(O)(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 7/20 0.45
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL8582556 0.91 MEN1 (0.56) KMT2AMEN1ALDH1A1ESR1ESR2
SCHEMBL249404 0.85 KMT2A (0.55) KMT2AMEN1ALDH1A1ESR1ESR2
Ammonia Solution, Strong SCHEMBL11855911 0.83 KMT2A (0.52) KMT2AMEN1ALDH1A1ESR1ESR2
SCHEMBL7681479 0.82 ALOX15 (0.59) KMT2AMEN1ALDH1A1ESR1ESR2
SCHEMBL28076984 0.82 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1CYP3A4TDP1
SCHEMBL28076982 0.82 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1CYP3A4TDP1
SCHEMBL31444839 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1ESR1ESR2
SCHEMBL11018098 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1ESR1ESR2
SCHEMBL2856947 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1ESR1ESR2
SCHEMBL4432529 0.81 ALDH1A1 (0.48) ALDH1A1ESR1ESR2CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 US disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 US disclosed
EP-4186906-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2023-05-31 EP disclosed
US-10793576-B2 Compound used as Bruton's tyrosine kinase inhibitor and preparation method and application thereof CHENGDU BRILLIANT PHARMACEUTICAL CO., LTD. (CN) 2020-10-06 US disclosed
US-20190315758-A1 COMPOUND USED AS BRUTON'S TYROSINE KINASE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF CHENGDU BRILLIANT PHARMACEUTICAL CO., LTD. (CN) 2019-10-17 US disclosed
WO-2018133151-A1 COMPOUND USED AS BRUTON'S TYROSINE KINASE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF 成都倍特药业有限公司 2018-07-26 WO disclosed
EP-3240543-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109216-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016106628-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
CN-101952260-A 4, 5-dihydro-oxazol-2-ylamine derivs HOFFMANN LA ROCHE 2011-01-19 CN disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 US disclosed
EP-2128167-A1 PHOSPHOROAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL National University Corporation Nagoya University (JP) 2009-12-02 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 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 (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-20190315758-A1 COMPOUND USED AS BRUTON'S TYROSINE KINASE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF BTK, SYK, LYN KMT2A 1003/4885MEN1 3252/4885ALDH1A1 4326/4885
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES BACE2, BACE1, PSEN2 KMT2A 1424/4885MEN1 346/4885ALDH1A1 1601/4885
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA KMT2A 501/4885MEN1 1119/4885ALDH1A1 424/4885
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 KMT2A 1103/4885MEN1 374/4885ALDH1A1 292/4885
US-10793576-B2 Compound used as Bruton's tyrosine kinase inhibitor and preparation method and application thereof BTK, SYK, LYN KMT2A 1003/4885MEN1 3252/4885ALDH1A1 4326/4885
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA KMT2A 501/4885MEN1 1119/4885ALDH1A1 424/4885
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE1, WEE2 KMT2A 1668/4885MEN1 994/4885ALDH1A1 4238/4885
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE2, WEE1 KMT2A 1617/4885MEN1 769/4885ALDH1A1 4697/4885

“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.