SCHEMBL18309965

SCHEMBL18309965

C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.49
▸ RECQL P46063 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ MAPT P10636 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GPR119 Q8TDV5 4/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42

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
SCHEMBL9932964 1.00 HPGD (0.49) HPGDRECQLEPHX1MAPTUSP2
SCHEMBL9932962 1.00 HPGD (0.49) HPGDRECQLEPHX1MAPTUSP2
SCHEMBL376753 1.00 HPGD (0.49) HPGDRECQLEPHX1MAPTUSP2
SCHEMBL21188445 1.00 HPGD (0.49) HPGDRECQLEPHX1MAPTUSP2
Hydrochloric Acid SCHEMBL25356696 0.98 HPGD (0.48) HPGDRECQLEPHX1MAPTUSP2
SCHEMBL5646218 0.88 HPGD (0.50) HPGDRECQLEPHX1MAPTUSP2
SCHEMBL4274742 0.88 HPGD (0.50) HPGDRECQLEPHX1MAPTUSP2
SCHEMBL20566340 0.88 HPGD (0.50) HPGDRECQLEPHX1MAPTUSP2
SCHEMBL2940507 0.88 HPGD (0.50) HPGDRECQLEPHX1MAPTUSP2
SCHEMBL12096407 0.88 HPGD (0.50) HPGDRECQLEPHX1MAPTUSP2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360165-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2024-10-31 — — US disclosed
US-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-07-25 — — US disclosed
CN-112300172-B Bruton tyrosine kinase inhibitors 比奥根MA公司 2024-01-16 — — CN disclosed
EP-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 — — EP disclosed
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
US-20230062491-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2023-03-02 — — US disclosed
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2023-02-16 — — US disclosed
US-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders GENENTECH, INC. (US) 2021-04-06 — — US disclosed
CN-112300172-A Bruton's tyrosine kinase inhibitors 比奥根MA公司 2021-02-02 — — CN disclosed
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2020-10-22 — — US disclosed
CN-107011330-B Bruton's tyrosine kinase inhibitors 比奥根MA公司 2020-07-03 — — CN disclosed
CN-111247136-A Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating diseases and disorders associated with IRE1 吉宁特有限公司 2020-06-05 — — CN disclosed
US-9932344-B2 Pyrazolo[1,5-A]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-03 — — US disclosed
US-20160362410-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE IP2IPO INNOVATIONS LIMITED (GB) 2016-12-15 — — US disclosed
CN-102711473-A Bruton's tyrosine kinase inhibitors BIOGEN IDEC INC 2012-10-03 — — CN 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 (7 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-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK HPGD 4535/4885RECQL 1472/4885EPHX1 2553/4885
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK HPGD 4535/4885RECQL 1472/4885EPHX1 2553/4885
US-20160362410-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK10, CDK1, CDK20 HPGD 2092/4885RECQL 2442/4885EPHX1 2520/4885
US-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders XBP1, ERN1, ATF4 HPGD 1437/4885RECQL 1564/4885EPHX1 1090/4885
US-20240360165-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HPGD 2819/4885RECQL 2661/4885EPHX1 4027/4885
US-20230062491-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HPGD 2819/4885RECQL 2661/4885EPHX1 4027/4885
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION MKI67, CCNC, CCNI HPGD 876/4885RECQL 1583/4885EPHX1 1486/4885

“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.

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