SCHEMBL21290463

SCHEMBL21290463

CC(C)CNCc1ccn(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CASR P41180 1/20 0.35
NAMPT P43490 1/20 0.34
KCNH2 Q12809 2/20 0.33
OPRM1 P35372 2/20 0.33
GRIN2B Q13224 1/20 0.33
IDO1 P14902 1/20 0.33
OPRK1 P41145 1/20 0.33
HPGDS O60760 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
PDE10A Q9Y233 1/20 0.33
OPRL1 P41146 2/20 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
SCHEMBL2259759 0.79 EPHX2 (0.58) EPHX2PDCD1CD274KDM1AALDH1A1
SCHEMBL24613088 0.79 EPHX2 (0.35) EPHX2ALDH1A1CYP1A2CYP2C19CASR
SCHEMBL104749 0.78 EPHX2 (0.49) EPHX2PDCD1CD274KDM1AALDH1A1
SCHEMBL24613090 0.76 EPHX2 (0.64) EPHX2PDCD1CD274KDM1AALDH1A1
SCHEMBL10863660 0.75 EPHX2 (0.62) EPHX2PDCD1CD274KDM1AALDH1A1
SCHEMBL178474 0.75
SCHEMBL1913020 0.75 EPHX2 (0.41) EPHX2DDB1CRBNKCNH2OPRM1
SCHEMBL31055717 0.74 EPHX2 (0.74) EPHX2PDCD1CD274KDM1AOPRM1
SCHEMBL18924762 0.73 EPHX2 (0.51) EPHX2PDCD1CD274KDM1AALDH1A1
SCHEMBL24792887 0.72 EPHX2 (0.42) EPHX2DDB1CRBNKCNH2OPRM1

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 9 patents. 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
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
WO-2021121282-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS WITH IMMUNOMODULATORY FUNCTION 上海轶诺药业有限公司 2021-06-24 WO disclosed
US-20210053946-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-25 US disclosed
US-10710986-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-14 US disclosed
US-20190345131-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-14 US disclosed
US-20190270727-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-09-05 US disclosed
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 EPHX2 3909/4885PDCD1 2/4885CD274 1/4885
US-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 EPHX2 3652/4885PDCD1 1/4885CD274 2/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 EPHX2 3652/4885PDCD1 1/4885CD274 2/4885
US-20190345131-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 EPHX2 3563/4885PDCD1 1/4885CD274 2/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 EPHX2 3652/4885PDCD1 1/4885CD274 2/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 EPHX2 3652/4885PDCD1 1/4885CD274 2/4885

“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.