SCHEMBL17512704

SCHEMBL17512704

O=C(NC12CC1CN(Cc1ccccc1)C2)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
SCN4A P35499 2/20 0.42
GAA P10253 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 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
SCHEMBL9177398 0.85 CYP2D6 (0.42) S1PR1S1PR5GAAEPHX1EPHX2
SCHEMBL9838655 0.82 ALDH1A1 (0.42) S1PR1S1PR5GAAEPHX1EPHX2
SCHEMBL4466104 0.80 CHRM3 (0.43) S1PR1S1PR5
SCHEMBL9185202 0.79 KMT2A (0.46)
SCHEMBL9185084 0.79 CTSK (0.40) S1PR1S1PR5
SCHEMBL4481788 0.78 ATM (0.40) S1PR1S1PR5EPHX1EPHX2
SCHEMBL4481787 0.78 ATM (0.40) S1PR1S1PR5EPHX1EPHX2
Ammonia Solution, Strong SCHEMBL9182347 0.78 KMT2A (0.45)
SCHEMBL18428237 0.77 SIGMAR1 (0.45) S1PR1S1PR5SCN4A
SCHEMBL17512684 0.76 SCN4A (0.43) S1PR1S1PR5SCN4AGAA

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 11 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
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

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 S1PR1 1400/4885S1PR5 1533/4885SCN4A 787/4885
US-11197867-B2 Aminopyrimidinyl compounds CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 S1PR1 523/4885S1PR5 1074/4885SCN4A 609/4885
US-10980815-B2 Aminopyrimidinyl compounds JAK2, JAK1, JAK3 S1PR1 1400/4885S1PR5 1533/4885SCN4A 787/4885
US-20200330477-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 S1PR1 523/4885S1PR5 1074/4885SCN4A 609/4885
US-20200038409-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 S1PR1 534/4885S1PR5 1098/4885SCN4A 552/4885
US-20170239264-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 S1PR1 534/4885S1PR5 1098/4885SCN4A 552/4885
US-20160052930-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 S1PR1 534/4885S1PR5 1098/4885SCN4A 552/4885

“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.