SCHEMBL20539302

SCHEMBL20539302

c1cc2c(c(-c3cccc4c3CCN4)c1)CCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
PARP1 P09874 5/20 0.46
PARP10 Q53GL7 4/20 0.46
PARP11 Q9NR21 4/20 0.46
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
KDM1A O60341 2/20 0.39
BRD4 O60885 1/20 0.39
PDPK1 O15530 1/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL30916119 1.00 NOTUM (0.47) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL15311783 0.87 NISCH (0.42) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL10921066 0.87 NOTUM (0.50) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL10923036 0.87 PARP10 (0.53) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL29648250 0.86 PARP10 (0.64) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL4718535 0.86 PARP10 (0.64) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL31121854 0.82 PARP10 (0.47) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL15312190 0.82 PARP10 (0.47) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL24600039 0.82 PARP10 (0.41) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL10201715 0.82 PARP1 (0.41) NOTUMPARP1PARP10PARP11BCHE

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP claimed
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
CN-111936475-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-10 CN disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
US-20220119411-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-04-21 US disclosed
EP-3612525-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2021-10-27 EP disclosed
EP-3612525-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2021-10-27 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 US disclosed
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 US disclosed
CN-111936475-A Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2020-11-13 CN disclosed
EP-3612525-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2020-02-26 EP disclosed
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN disclosed
WO-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO disclosed
WO-2018195321-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2018-10-25 WO disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 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 (5 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 NOTUM 3868/4885PARP1 92/4885PARP10 1578/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 NOTUM 4444/4885PARP1 401/4885PARP10 2205/4885
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP NOTUM 2404/4885PARP1 4100/4885PARP10 4371/4885
US-20220119411-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP NOTUM 2404/4885PARP1 4100/4885PARP10 4371/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 NOTUM 3868/4885PARP1 92/4885PARP10 1578/4885

“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.