SCHEMBL17512641

SCHEMBL17512641

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.45
CYP17A1 P05093 3/20 0.42
EGLN2 Q96KS0 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
PSMB8 P28062 1/20 0.40
LEF1 Q9UJU2 1/20 0.40
NAMPT P43490 1/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
MAP4K4 O95819 1/20 0.40
KDM4E B2RXH2 1/20 0.40
AR P10275 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL20639044 0.91 ATR (0.41) ATRCYP17A1EGLN2CA12CA1
SCHEMBL17512692 0.87 ATR (0.41) ATRCYP17A1EGLN2CA12CA1
SCHEMBL17512706 0.85 TOP2A (0.43) CYP17A1EGLN2CA12CA1CA9
SCHEMBL16776832 0.82 ATR (0.38) ATRCYP17A1EGLN2LEF1TOP2A
SCHEMBL29187149 0.82 AR (0.60) ATRCYP17A1CA12CA1CA9
SCHEMBL2970159 0.81 ATR (0.40) ATRNPC1TP53RAB9ASMN1; SMN2
SCHEMBL15858102 0.80 KDM4E (0.61) CA12CA1CA9KDM4ESMN1; SMN2
SCHEMBL7383587 0.80 KDM4E (0.57) ATRCA12CA1CA9KDM4E
SCHEMBL20638777 0.79 S1PR2 (0.44) CYP17A1CA12CA1CA9TOP2A
SCHEMBL4723839 0.78 KMT2A (0.54) NPC1TP53CYP1A2CYP3A4CYP2C9

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 4233/4885EGLN2 2094/4885
US-11197867-B2 Aminopyrimidinyl compounds CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 ATR 623/4885CYP17A1 3610/4885EGLN2 3936/4885
US-10980815-B2 Aminopyrimidinyl compounds JAK2, JAK1, JAK3 ATR 271/4885CYP17A1 4233/4885EGLN2 2094/4885
US-20200330477-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 ATR 623/4885CYP17A1 3610/4885EGLN2 3936/4885
US-20200038409-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 ATR 656/4885CYP17A1 3588/4885EGLN2 3948/4885
US-20170239264-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 ATR 656/4885CYP17A1 3588/4885EGLN2 3948/4885
US-20160052930-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 ATR 656/4885CYP17A1 3588/4885EGLN2 3948/4885

“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.