SCHEMBL18247281

SCHEMBL18247281

Cc1cnn([C@H](C)[C@@H](C)O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
TYK2 P29597 4/20 0.36
JAK3 P52333 4/20 0.36
APLNR P35414 1/20 0.36
ACHE P22303 6/20 0.33
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
PLAA Q9Y263 1/20 0.31
TDO2 P48775 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL18246168 1.00 NOS1 (0.38) NOS1JAK2JAK1TYK2JAK3
SCHEMBL18246269 1.00 NOS1 (0.38) NOS1JAK2JAK1TYK2JAK3
SCHEMBL18245797 1.00 NOS1 (0.38) NOS1JAK2JAK1TYK2JAK3
SCHEMBL28456407 1.00 NOS1 (0.38) NOS1JAK2JAK1TYK2JAK3
SCHEMBL15703055 0.83 NOS1 (0.36) NOS1APLNRACHETDO2
SCHEMBL21767182 0.80 NOS1 (0.33) NOS1ACHE
SCHEMBL17476841 0.79 JAK2 (0.36) JAK2JAK1TYK2JAK3ACHE
SCHEMBL17480827 0.79 JAK2 (0.36) JAK2JAK1TYK2JAK3ACHE
SCHEMBL17476836 0.79 JAK2 (0.36) JAK2JAK1TYK2JAK3ACHE
SCHEMBL179278 0.78

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
CN-108137545-B Triazole agonists of the APJ receptor 美国安进公司 2020-09-22 CN disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 US disclosed
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US disclosed
US-10221162-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2019-03-05 US disclosed
US-10221162-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2019-03-05 US disclosed
US-20180319773-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-11-08 US disclosed
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
WO-2016187308-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2016-11-24 WO disclosed
WO-2016187308-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2016-11-24 WO disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 US disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 US disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 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-20180319773-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 NOS1 2930/4885JAK2 676/4885JAK1 559/4885
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES APH1A, BRDT, APH1B NOS1 4631/4885JAK2 4069/4885JAK1 4798/4885
US-10344016-B2 Bromotriazole intermediates APH1A, BRDT, APH1B NOS1 4631/4885JAK2 4069/4885JAK1 4798/4885
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 NOS1 2930/4885JAK2 676/4885JAK1 559/4885
US-10221162-B2 Triazole agonists of the APJ receptor TBXA2R, AGTR1, AGTR2 NOS1 2930/4885JAK2 676/4885JAK1 559/4885
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 NOS1 2930/4885JAK2 676/4885JAK1 559/4885
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 NOS1 2930/4885JAK2 676/4885JAK1 559/4885

“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.