SCHEMBL17512692

SCHEMBL17512692

COC(=O)c1cc(NC(=O)OC(C)(C)C)cc(CO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.41
CYP17A1 P05093 2/20 0.39
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
AR P10275 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SREBF2 Q12772 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
LEF1 Q9UJU2 1/20 0.36
MAPKAPK2 P49137 4/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
PSMB8 P28062 1/20 0.35

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
SCHEMBL28151268 0.88 TOP2A (0.40) CYP17A1TOP2ATOP2BSREBF2MAPKAPK2
SCHEMBL17512641 0.87 ATR (0.45) ATRCYP17A1TOP2ATOP2BAR
SCHEMBL2470714 0.87 CYP17A1 (0.45) ATRCYP17A1TOP2ATOP2BSREBF2
SCHEMBL16776832 0.84 ATR (0.38) ATRCYP17A1TOP2ATOP2BAR
SCHEMBL16232858 0.83 PTPN11 (0.44) CYP17A1SREBF2EGLN2MAPKAPK2MAPK14
SCHEMBL20639044 0.82 ATR (0.41) ATRCYP17A1TOP2ATOP2BKDM4E
SCHEMBL31042935 0.81 CYP17A1 (0.40) CYP17A1TOP2ATOP2BSREBF2EGLN2
SCHEMBL27196320 0.80 L3MBTL1 (0.42) ATRKDM4E
SCHEMBL22009251 0.80 CYP17A1 (0.42) CYP17A1SREBF2MAPKAPK2MAPK14HDAC3
SCHEMBL30955400 0.79 RXFP1 (0.40) CYP17A1TOP2ATOP2BARSREBF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11197867-B2 Aminopyrimidinyl compounds PFIZER INC. (US) 2021-12-14 US disclosed
US-20210377495-A1 AMINOPYRIMIDINYL COMPOUNDS PFIZER INC. (US) 2021-12-02 US disclosed
US-10980815-B2 Aminopyrimidinyl compounds PFIZER INC. (US) 2021-04-20 US disclosed
US-20200330477-A1 AMINOPYRIMIDINYL COMPOUNDS PFIZER INC. (US) 2020-10-22 US disclosed
US-20200038409-A1 AMINOPYRIMIDINYL COMPOUNDS PFIZER INC. (US) 2020-02-06 US disclosed
US-10463675-B2 Aminopyrimidinyl compounds PFIZER INC. (US) 2019-11-05 US disclosed
CN-107074867-B Aminopyrimidinyl compounds as JAK inhibitors 辉瑞公司 2019-10-22 CN disclosed
EP-3183247-B9 AMINOPYRIMIDINYL COMPOUNDS AS JAK INHIBITORS PFIZER (US) 2018-07-25 EP disclosed
EP-3183247-B1 AMINOPYRIMIDINYL COMPOUNDS AS JAK INHIBITORS PFIZER (US) 2017-11-29 EP disclosed
US-20170239264-A1 AMINOPYRIMIDINYL COMPOUNDS PFIZER INC. (US) 2017-08-24 US disclosed
CN-107074867-A Aminopyrimidinyl compounds as JAK inhibitors 辉瑞公司 2017-08-18 CN disclosed
EP-3183247-A1 AMINOPYRIMIDINYL COMPOUNDS AS JAK INHIBITORS Pfizer Inc (US) 2017-06-28 EP disclosed
US-9663526-B2 Aminopyrimidinyl compounds PFIZER INC. (US) 2017-05-30 US disclosed
US-20160052930-A1 AMINOPYRIMIDINYL COMPOUNDS PFIZER INC. (US) 2016-02-25 US disclosed
WO-2016027195-A1 AMINOPYRIMIDINYL COMPOUNDS AS JAK INHIBITORS PFIZER INC. (US) 2016-02-25 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 (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-10463675-B2 Aminopyrimidinyl compounds JAK2, JAK1, JAK3 ATR 271/4885CYP17A1 4233/4885TOP2A 2822/4885
US-11197867-B2 Aminopyrimidinyl compounds CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 ATR 623/4885CYP17A1 3610/4885TOP2A 2828/4885
US-10980815-B2 Aminopyrimidinyl compounds JAK2, JAK1, JAK3 ATR 271/4885CYP17A1 4233/4885TOP2A 2822/4885
US-20200330477-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 ATR 623/4885CYP17A1 3610/4885TOP2A 2828/4885
US-20200038409-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 ATR 656/4885CYP17A1 3588/4885TOP2A 2734/4885
US-20170239264-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 ATR 656/4885CYP17A1 3588/4885TOP2A 2734/4885
US-20160052930-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 ATR 656/4885CYP17A1 3588/4885TOP2A 2734/4885

“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.