SCHEMBL17512558

SCHEMBL17512558

C[C@H]1[C@H]2CN(Cc3ccccc3)C[C@@]21NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
GAA P10253 1/20 0.41
SCN4A P35499 2/20 0.41
FUCA1 P04066 2/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
DRD4 P21917 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL17512557 1.00 ARG1 (0.42) ARG1ARG2S1PR1S1PR5GAA
SCHEMBL17512685 0.88 SCN4A (0.43) S1PR1S1PR5GAASCN4AALDH1A1
SCHEMBL17512684 0.88 SCN4A (0.43) S1PR1S1PR5GAASCN4AALDH1A1
SCHEMBL17512598 0.88 SCN4A (0.43) S1PR1S1PR5GAASCN4AALDH1A1
SCHEMBL17512596 0.88 SCN4A (0.43) S1PR1S1PR5GAASCN4AALDH1A1
SCHEMBL10277142 0.72 NR1I2 (0.46) ALDH1A1DRD4SIGMAR1
SCHEMBL17512663 0.72 ACHE (0.46) ARG1ARG2GAAFUCA1ACHE
SCHEMBL17512501 0.72 ACHE (0.46) ARG1ARG2GAAFUCA1ACHE
SCHEMBL17512541 0.72 ACHE (0.46) ARG1ARG2GAAFUCA1ACHE
SCHEMBL23979206 0.71 S1PR5 (0.48) S1PR1S1PR5GAAFUCA1ALDH1A1

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 ARG1 215/4885ARG2 608/4885S1PR1 1400/4885
US-11197867-B2 Aminopyrimidinyl compounds CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 ARG1 913/4885ARG2 3085/4885S1PR1 523/4885
US-10980815-B2 Aminopyrimidinyl compounds JAK2, JAK1, JAK3 ARG1 215/4885ARG2 608/4885S1PR1 1400/4885
US-20200330477-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 ARG1 913/4885ARG2 3085/4885S1PR1 523/4885
US-20200038409-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 ARG1 721/4885ARG2 2686/4885S1PR1 534/4885
US-20170239264-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 ARG1 721/4885ARG2 2686/4885S1PR1 534/4885
US-20160052930-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 ARG1 721/4885ARG2 2686/4885S1PR1 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.