SCHEMBL20294497

SCHEMBL20294497

Cc1c(Br)cccc1C#CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ STS P08842 1/20 0.42
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GRM5 P41594 1/20 0.40

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
SCHEMBL30021366 1.00 GPR119 (0.46) GPR119KMT2ASTSPTPN2PTPN1
SCHEMBL28868627 0.89 GPR119 (0.38) GPR119KMT2AKDM4EGRM5
SCHEMBL28868520 0.87 USP30 (0.42) GPR119KMT2AMEN1ALDH1A1
SCHEMBL30735089 0.83 KDM4E (0.45) GPR119KMT2AKDM4EPKM
SCHEMBL30734613 0.82 GPR119 (0.44) GPR119KMT2AKDM4EPKMMEN1
SCHEMBL25338054 0.81 GPR119 (0.44) GPR119STSPTPN2PTPN1PTPN6
SCHEMBL30272604 0.81 STS (0.52) GPR119KMT2ASTSPTPN2PTPN1
SCHEMBL21722925 0.81 STS (0.52) GPR119KMT2ASTSPTPN2PTPN1
SCHEMBL19297557 0.78 GPR119 (0.49) GPR119PTPN2PTPN1PTPN6
SCHEMBL15007464 0.78 USP30 (0.45) GPR119PTPN2PTPN1PTPN6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 — — US disclosed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 — — US disclosed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 — — US disclosed
CN-115232109-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业有限公司 2022-10-25 — — CN disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 — — US disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 — — US disclosed
WO-2018119263-A1 HETEROCYCLIC COMPOUNDS DERIVATIVES AS PD-L1 INTERNALIZATION INDUCERS INCYTE CORPORATION (US) 2018-06-28 — — WO disclosed
WO-2018119263-A1 HETEROCYCLIC COMPOUNDS DERIVATIVES AS PD-L1 INTERNALIZATION INDUCERS INCYTE CORPORATION (US) 2018-06-28 — — 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 (2 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-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 GPR119 1778/4885KMT2A 2632/4885STS 4349/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 GPR119 1778/4885KMT2A 2632/4885STS 4349/4885

“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.

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