SCHEMBL17545404

SCHEMBL17545404

C[C@H]1[C@H]2CN(c3nc(Nc4cnn(C)c4)ncc3F)C[C@]21N

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 19/20 0.63
JAK2 O60674 16/20 0.63
JAK1 P23458 16/20 0.63
JAK3 P52333 10/20 0.63
KDR P35968 2/20 0.63
EGFR P00533 1/20 0.63
AURKB Q96GD4 1/20 0.44

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
SCHEMBL19649844 1.00 TYK2 (0.63) TYK2JAK2JAK1JAK3KDR
Hydrochloric Acid SCHEMBL17512529 0.99 TYK2 (0.62) TYK2JAK2JAK1JAK3KDR
Hydrochloric Acid SCHEMBL17512615 0.99 TYK2 (0.62) TYK2JAK2JAK1JAK3KDR
SCHEMBL17512679 0.86 TYK2 (0.66) TYK2JAK2JAK1JAK3KDR
SCHEMBL19649880 0.78 JAK1 (0.66) TYK2JAK2JAK1JAK3KDR
SCHEMBL17512597 0.78 TYK2 (1.00) TYK2JAK2JAK1JAK3KDR
SCHEMBL22567390 0.78 TYK2 (1.00) TYK2JAK2JAK1JAK3KDR
SCHEMBL17512723 0.78 TYK2 (1.00) TYK2JAK2JAK1JAK3KDR
SCHEMBL22567317 0.78 TYK2 (1.00) TYK2JAK2JAK1JAK3KDR
SCHEMBL22567399 0.78 TYK2 (1.00) TYK2JAK2JAK1JAK3KDR

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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 TYK2 18/4885JAK2 1/4885JAK1 2/4885
US-11197867-B2 Aminopyrimidinyl compounds CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 TYK2 708/4885JAK2 307/4885JAK1 1451/4885
US-10980815-B2 Aminopyrimidinyl compounds JAK2, JAK1, JAK3 TYK2 18/4885JAK2 1/4885JAK1 2/4885
US-20200330477-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 TYK2 708/4885JAK2 307/4885JAK1 1451/4885
US-20200038409-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 TYK2 697/4885JAK2 291/4885JAK1 1339/4885
US-20170239264-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 TYK2 697/4885JAK2 291/4885JAK1 1339/4885

“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.