SCHEMBL1474575

SCHEMBL1474575

COc1nc(C)cnc1C=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.38
CCR4 P51679 2/20 0.37
EDNRA P25101 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAT2A P31153 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
PDE10A Q9Y233 1/20 0.30
ABCB11 O95342 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL29952590 1.00 KCNJ1 (0.38) KCNJ1CCR4EDNRACYP1A2CYP2C9
SCHEMBL1476090 0.86 CCR4 (0.36) KCNJ1CCR4EDNRAHTTRECQL
SCHEMBL29956405 0.86 CCR4 (0.36) KCNJ1CCR4EDNRAHTTRECQL
SCHEMBL29955754 0.82 POLB (0.37) KCNJ1RECQL
SCHEMBL6057013 0.82 POLB (0.37) KCNJ1RECQL
SCHEMBL20107531 0.82 CCR4 (0.33) CCR4EDNRACYP1A2CYP2C9CYP2C19
SCHEMBL21274427 0.81 KCNJ1 (0.33) KCNJ1
SCHEMBL21274185 0.81 CCR4 (0.42) CCR4EDNRA
SCHEMBL29952408 0.81 CCR4 (0.42) KCNJ1CCR4EDNRAALDH1A1GAA
SCHEMBL29862869 0.81 CCR4 (0.42) CCR4EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
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-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-20180319773-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-11-08 US disclosed
US-10058550-B2 Methods of treating heart failure AMGEN INC. (US) 2018-08-28 US disclosed
EP-3300500-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2018-04-04 EP disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 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 (9 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 KCNJ1 512/4885CCR4 1068/4885EDNRA 845/4885
US-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 KCNJ1 4228/4885CCR4 960/4885EDNRA 2239/4885
US-20180319773-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 KCNJ1 151/4885CCR4 2864/4885EDNRA 83/4885
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES APH1A, BRDT, APH1B KCNJ1 4650/4885CCR4 3278/4885EDNRA 484/4885
US-10058550-B2 Methods of treating heart failure FABP3, TNNI3, APLNR KCNJ1 114/4885CCR4 2939/4885EDNRA 53/4885
US-10344016-B2 Bromotriazole intermediates APH1A, BRDT, APH1B KCNJ1 4650/4885CCR4 3278/4885EDNRA 484/4885
US-10221162-B2 Triazole agonists of the APJ receptor TBXA2R, AGTR1, AGTR2 KCNJ1 151/4885CCR4 2864/4885EDNRA 83/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 KCNJ1 665/4885CCR4 795/4885EDNRA 570/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 KCNJ1 512/4885CCR4 1068/4885EDNRA 845/4885

“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.