SCHEMBL15908261

SCHEMBL15908261

CC(C)(C)c1nc2c(s1)CCNC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PNMT P11086 4/20 0.36
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL2697488 0.86 PDCD1 (0.39) PDCD1CD274PNMTTLR9TLR7
SCHEMBL20312844 0.83
SCHEMBL1263300 0.82 PDCD1 (0.39) PDCD1CD274PNMTTLR9TLR7
Hydrochloric Acid SCHEMBL1993194 0.81 PDCD1 (0.38) PDCD1CD274PNMTTLR9TLR7
SCHEMBL22966476 0.79 PDCD1 (0.32) PDCD1CD274
SCHEMBL19557871 0.78 PDCD1 (0.30) PDCD1CD274
SCHEMBL15910247 0.76 PDCD1 (0.48) PDCD1CD274PNMTTLR9TLR7
Hydrochloric Acid SCHEMBL31569096 0.74 PDCD1 (0.47) PDCD1CD274PNMTTLR9TLR7
SCHEMBL2698130 0.73 PDK1 (0.48)
SCHEMBL19638148 0.73 PDCD1 (0.42) PDCD1CD274PNMTTLR9TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 US disclosed
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 US disclosed
US-20230146129-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-05-11 US disclosed
US-20230146129-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-05-11 US disclosed
US-11566025-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-01-31 US disclosed
US-20220213090-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-07-07 US disclosed
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-06-23 US disclosed
US-11339149-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2022-05-24 US disclosed
US-20210107900-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2021-04-15 US disclosed
US-20200325115-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2020-10-15 US disclosed
US-20180179202-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-20180179202-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-20180179179-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-20180179201-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 US disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 US disclosed
US-20160297810-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-10-13 US disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 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 (15 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-11339149-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885PNMT 1698/4885
US-20220213090-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885PNMT 1698/4885
US-20180179202-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885PNMT 1698/4885
US-20200325115-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885PNMT 1698/4885
US-20210107900-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885PNMT 1698/4885
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885PNMT 1698/4885
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN PDCD1 2872/4885CD274 3520/4885PNMT 2859/4885
US-11566025-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 PDCD1 3215/4885CD274 4103/4885PNMT 1286/4885
US-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 PDCD1 3215/4885CD274 4103/4885PNMT 1286/4885
US-20160297810-A1 NOVEL VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, IRF3 PDCD1 3433/4885CD274 4238/4885PNMT 2048/4885
US-20230146129-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885PNMT 1698/4885
US-20180179179-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885PNMT 1698/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN PDCD1 2872/4885CD274 3520/4885PNMT 2859/4885
US-11787793-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885PNMT 1698/4885
US-20180179201-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885PNMT 1698/4885

“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.