SCHEMBL17512605

SCHEMBL17512605

COC(=O)C(C(=O)OC(C)(C)C)c1ncc([N+](=O)[O-])cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP2C19 P33261 1/20 0.41
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL16522671 0.91 KMT2A (0.47) MAPK1ALDH1A1CYP2C19ITGA4ITGB7
SCHEMBL22556903 0.86 ALDH1A1 (0.43) MAPK1ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL8771567 0.82 KMT2A (0.50) MAPK1ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL17055210 0.80 CYP2C19 (0.47) ALDH1A1CYP2C19ITGA4ITGB7KMT2A
SCHEMBL7499244 0.77 CYP2C19 (0.53) ALDH1A1CYP2C19ITGA4ITGB7KMT2A
SCHEMBL28692379 0.76 ALDH1A1 (0.51) MAPK1ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL16505140 0.76 ALDH1A1 (0.43) MAPK1ALDH1A1KMT2AMEN1LMNA
SCHEMBL16505139 0.76 ALDH1A1 (0.43) MAPK1ALDH1A1KMT2AMEN1LMNA
SCHEMBL13706812 0.73 ALDH1A1 (0.41) MAPK1ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL16920141 0.73 ALDH1A1 (0.41) MAPK1ALDH1A1CYP2C19KMT2AMEN1

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 13 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
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
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
WO-2016027195-A1 AMINOPYRIMIDINYL COMPOUNDS AS JAK INHIBITORS PFIZER INC. (US) 2016-02-25 — — WO disclosed
US-20160052930-A1 AMINOPYRIMIDINYL COMPOUNDS PFIZER INC. (US) 2016-02-25 — — 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 (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 MAPK1 322/4885ALDH1A1 4234/4885CYP2C19 1996/4885
US-11197867-B2 Aminopyrimidinyl compounds CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 MAPK1 3047/4885ALDH1A1 3589/4885CYP2C19 2550/4885
US-10980815-B2 Aminopyrimidinyl compounds JAK2, JAK1, JAK3 MAPK1 322/4885ALDH1A1 4234/4885CYP2C19 1996/4885
US-20200330477-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 MAPK1 3047/4885ALDH1A1 3589/4885CYP2C19 2550/4885
US-20200038409-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 MAPK1 2998/4885ALDH1A1 3523/4885CYP2C19 2352/4885
US-20170239264-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 MAPK1 2998/4885ALDH1A1 3523/4885CYP2C19 2352/4885
US-20160052930-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 MAPK1 2998/4885ALDH1A1 3523/4885CYP2C19 2352/4885

“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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