SCHEMBL17512467

SCHEMBL17512467

CCc1c(N)cnc(C(=O)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.40
GABRD O14764 5/20 0.40
GABRA1 P14867 5/20 0.40
GABRB1 P18505 5/20 0.40
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA5 P31644 5/20 0.40
GABRA3 P34903 5/20 0.40
GABRA2 P47869 5/20 0.40
GABRB2 P47870 5/20 0.40
GABRA4 P48169 5/20 0.40
GABRE P78334 5/20 0.40
GABRA6 Q16445 5/20 0.40
GABRG1 Q8N1C3 5/20 0.40
GABRG3 Q99928 5/20 0.40
GABRQ Q9UN88 5/20 0.40
HCAR2 Q8TDS4 3/20 0.39
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 3/20 0.33

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
SCHEMBL28841973 0.79 HCAR2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28636839 0.74 FBP1 (0.40) HCAR2KDM4ETDP1
SCHEMBL29590421 0.71 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1973503 0.71 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28042290 0.70 NOS3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17368433 0.70 TDP1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5818364 0.70 ALDH1A1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21598832 0.69 TDP1 (0.43) HCAR2KDM4EKMT2ATDP1MEN1
SCHEMBL1974301 0.68 GABRA1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22556974 0.68 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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 GABRP 880/4885GABRD 2341/4885GABRA1 1506/4885
US-11197867-B2 Aminopyrimidinyl compounds CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 GABRP 1363/4885GABRD 837/4885GABRA1 565/4885
US-10980815-B2 Aminopyrimidinyl compounds JAK2, JAK1, JAK3 GABRP 880/4885GABRD 2341/4885GABRA1 1506/4885
US-20200330477-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 GABRP 1363/4885GABRD 837/4885GABRA1 565/4885
US-20200038409-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 GABRP 1173/4885GABRD 753/4885GABRA1 463/4885
US-20170239264-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 GABRP 1173/4885GABRD 753/4885GABRA1 463/4885
US-20160052930-A1 AMINOPYRIMIDINYL COMPOUNDS CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 GABRP 1173/4885GABRD 753/4885GABRA1 463/4885

“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.