SCHEMBL2697488

SCHEMBL2697488

CC(C)(C)c1nc2c(s1)CNCC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 7/20 0.39
CD274 Q9NZQ7 7/20 0.39
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
OGA O60502 3/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PNMT P11086 1/20 0.33
HDAC2 Q92769 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
SCHEMBL22966476 0.90 PDCD1 (0.32) PDCD1CD274
SCHEMBL15908261 0.86 PDCD1 (0.42) PDCD1CD274HTR2AHTR2CHTR2B
SCHEMBL22966578 0.83 PDCD1 (0.36) PDCD1CD274OGATLR9TLR8
SCHEMBL20312844 0.83
SCHEMBL20332664 0.82 PDCD1 (0.35) PDCD1CD274OGATLR9TLR8
SCHEMBL31143337 0.82 PDCD1 (0.36) PDCD1CD274OGATLR9TLR8
SCHEMBL22966480 0.79 PDCD1 (0.35) PDCD1CD274OGA
SCHEMBL21135352 0.77 PDCD1 (0.32) PDCD1CD274
SCHEMBL330205 0.76 PDCD1 (0.44) PDCD1CD274OGATLR9TLR8
SCHEMBL330143 0.75 PDCD1 (0.36) PDCD1CD274OGATLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2024-11-12 US disclosed
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2024-11-07 US disclosed
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-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 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-11566026-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-01-31 US disclosed
US-20220213090-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-07-07 US disclosed
US-20170136014-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor and/or a JAK-2 Inhibitor ACERTA PHARMA BV (NL) 2017-05-18 US disclosed
US-9284296-B2 Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions AUBERGINE PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-9238658-B2 Substituted piperidinyl-carboxamide derivatives useful as SCD 1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2016-01-19 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20140364393-A1 SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-11 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 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 (13 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-20220213090-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885HTR2A 2867/4885
US-20140364393-A1 SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS SCD, SCD5, FASN PDCD1 1463/4885CD274 2051/4885HTR2A 1351/4885
US-11566026-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885HTR2A 2867/4885
US-20170136014-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor and/or a JAK-2 Inhibitor BTK, JAK2, JAK1 PDCD1 939/4885CD274 1632/4885HTR2A 2733/4885
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 PDCD1 2707/4885CD274 4262/4885HTR2A 2724/4885
US-20230146129-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885HTR2A 2867/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 PDCD1 482/4885CD274 742/4885HTR2A 2342/4885
US-11787793-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885HTR2A 2867/4885
US-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA PDCD1 4727/4885CD274 4836/4885HTR2A 4081/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 PDCD1 2707/4885CD274 4262/4885HTR2A 2724/4885
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM1 PDCD1 3920/4885CD274 2679/4885HTR2A 131/4885
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM1 PDCD1 3866/4885CD274 2658/4885HTR2A 129/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 PDCD1 2/4885CD274 1/4885HTR2A 3457/4885

“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.