SCHEMBL17512596

SCHEMBL17512596

C[C@@H]1[C@@H]2CN(Cc3ccccc3)C[C@]12NC(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.43
GAA P10253 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 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
SCHEMBL17512684 1.00 SCN4A (0.43) SCN4AGAAS1PR1S1PR5ALDH1A1
SCHEMBL17512685 1.00 SCN4A (0.43) SCN4AGAAS1PR1S1PR5ALDH1A1
SCHEMBL17512598 1.00 SCN4A (0.43) SCN4AGAAS1PR1S1PR5ALDH1A1
SCHEMBL17512558 0.88 ARG1 (0.42) SCN4AGAAS1PR1S1PR5ALDH1A1
SCHEMBL17512557 0.88 ARG1 (0.42) SCN4AGAAS1PR1S1PR5ALDH1A1
SCHEMBL17512704 0.76 S1PR1 (0.43) SCN4AGAAS1PR1S1PR5
SCHEMBL7315782 0.69 DPP4 (0.53) GAA
SCHEMBL1717591 0.69 GAA (0.46) GAAS1PR1S1PR5ALDH1A1CYP2D6
SCHEMBL17512663 0.68 ACHE (0.46) GAACYP2D6
SCHEMBL17512541 0.68 ACHE (0.46) GAACYP2D6

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
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 SCN4A 787/4885GAA 4508/4885S1PR1 1400/4885
US-11197867-B2 Aminopyrimidinyl compounds CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 SCN4A 609/4885GAA 4153/4885S1PR1 523/4885
US-10980815-B2 Aminopyrimidinyl compounds JAK2, JAK1, JAK3 SCN4A 787/4885GAA 4508/4885S1PR1 1400/4885
US-20200330477-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 SCN4A 609/4885GAA 4153/4885S1PR1 523/4885
US-20200038409-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 SCN4A 552/4885GAA 4185/4885S1PR1 534/4885
US-20170239264-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 SCN4A 552/4885GAA 4185/4885S1PR1 534/4885
US-20160052930-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 SCN4A 552/4885GAA 4185/4885S1PR1 534/4885

“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.