SCHEMBL21290420

SCHEMBL21290420

CC(C)OCCc1cc(C#N)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.38
MBOAT4 Q96T53 1/20 0.37
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MGLL Q99685 1/20 0.35
GAK O14976 2/20 0.34
RIPK2 O43353 2/20 0.34
COQ8A Q8NI60 2/20 0.34
NLK Q9UBE8 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
MAP3K12 Q12852 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PDE5A O76074 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CLK4 Q9HAZ1 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL29478742 0.84 MBOAT4 (0.41) CETPMBOAT4MGLLGAKRIPK2
SCHEMBL21290713 0.84 MBOAT4 (0.41) CETPMBOAT4MGLLGAKRIPK2
SCHEMBL22637777 0.83 MBOAT4 (0.39) MBOAT4CCNCCDK8GAKRIPK2
SCHEMBL7219031 0.77 KDM4E (0.49) MBOAT4CCNCCDK8HRH4CYP19A1
SCHEMBL4103686 0.76 MBOAT4 (0.40) MBOAT4CCNCCDK8HRH4MAP3K12
SCHEMBL4927528 0.74 CETP (0.42) CETPHRH4MAP3K12JAK2JAK3
SCHEMBL4963448 0.74 MBOAT4 (0.40) MBOAT4CCNCCDK8GAKRIPK2
SCHEMBL3869976 0.74 CCNC (0.40) MBOAT4CCNCCDK8GAKRIPK2
SCHEMBL3870198 0.74 CCNC (0.40) MBOAT4CCNCCDK8GAKRIPK2
SCHEMBL3242600 0.73 CYP1A2 (0.44) MBOAT4CCNCCDK8MAP3K12CYP11B1

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 10 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
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US 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
WO-2019204609-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-10-24 WO 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 CETP 3920/4885MBOAT4 3765/4885CCNC 495/4885
US-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CETP 3387/4885MBOAT4 3922/4885CCNC 419/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CETP 3387/4885MBOAT4 3922/4885CCNC 419/4885
US-20190345131-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CETP 3833/4885MBOAT4 3536/4885CCNC 436/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 CETP 3387/4885MBOAT4 3922/4885CCNC 419/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CETP 3387/4885MBOAT4 3922/4885CCNC 419/4885

“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.