SCHEMBL6436015

SCHEMBL6436015

Cc1nc2c(s1)CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.36
CD274 Q9NZQ7 4/20 0.36
PNMT P11086 1/20 0.36
DRD2 P14416 1/20 0.33
PDE10A Q9Y233 1/20 0.32
HTR2C P28335 4/20 0.32
HTR2B P41595 3/20 0.32
HTR2A P28223 2/20 0.32
PDK1 Q15118 3/20 0.31
FBP1 P09467 2/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MET P08581 1/20 0.31
ALK Q9UM73 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30

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
Bromide SCHEMBL15021264 0.98 PDCD1 (0.35) PDCD1CD274PNMTDRD2PDE10A
Hydrochloric Acid SCHEMBL7677012 0.98 PDCD1 (0.35) PDCD1CD274PNMTDRD2PDE10A
SCHEMBL330205 0.86 PDCD1 (0.44) PDCD1CD274PNMTPDE10A
SCHEMBL15910247 0.86 PDCD1 (0.48) PDCD1CD274PNMT
Hydrochloric Acid SCHEMBL31569096 0.84 PDCD1 (0.47) PDCD1CD274PNMT
Bromide SCHEMBL3822772 0.84 PDCD1 (0.43) PDCD1CD274PNMTPDE10A
Hydrochloric Acid SCHEMBL6765448 0.84 PDCD1 (0.43) PDCD1CD274PNMTPDE10A
SCHEMBL15007108 0.77 DRD2 (0.33) PDCD1CD274DRD2PDK1FBP1
SCHEMBL2666128 0.76
SCHEMBL171200 0.76 PDK1 (0.54) PDK1FBP1APOBEC3AAPOBEC3GNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-05-12 US disclosed
US-20200369658-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-11-26 US disclosed
US-10774078-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2020-09-15 US disclosed
US-20190330202-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2019-10-31 US disclosed
US-10392380-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2019-08-27 US disclosed
US-20180162852-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LIMITED 2018-06-14 US disclosed
US-9926307-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2018-03-27 US disclosed
US-20170247365-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2017-08-31 US disclosed
EP-2831074-B1 NOVEL PYRAZOLOPYRIMIDINES AS METABOTROPIC GLUTAMATE 5 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHIATRIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-09-14 EP disclosed
US-20130150347-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150347-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
EP-1303521-B1 TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-02-02 EP disclosed
US-20020045635-A1 Novel mGluR antagonists and a method for their synthesis HOFFMANN-LA ROCHE, INC. 2002-04-18 US disclosed
US-6369222-B1 NITRO- AND CYANO-1,2,4,5-TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES; BRAIN, EYE, MUSCULAR, PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2002-04-09 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-20130150341-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 PDCD1 3998/4885CD274 3840/4885PNMT 826/4885
US-10774078-B2 Compounds UCHL1, UCHL3, UCHL5 PDCD1 878/4885CD274 1176/4885PNMT 3651/4885
US-20020045635-A1 Novel mGluR antagonists and a method for their synthesis GRM1, GRM5, GRM2 PDCD1 3508/4885CD274 4007/4885PNMT 308/4885
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH2 PDCD1 1718/4885CD274 1101/4885PNMT 183/4885
US-20180162852-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 PDCD1 855/4885CD274 1059/4885PNMT 4019/4885
US-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS BACE1, ENGASE, GBA3 PDCD1 4099/4885CD274 3725/4885PNMT 652/4885
US-10392380-B2 Compounds UCHL1, UCHL3, UCHL5 PDCD1 878/4885CD274 1176/4885PNMT 3651/4885
US-20130150347-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 PDCD1 3998/4885CD274 3840/4885PNMT 826/4885
US-20200369658-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 PDCD1 855/4885CD274 1059/4885PNMT 4019/4885
US-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 PDCD1 3998/4885CD274 3840/4885PNMT 826/4885
US-20190330202-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 PDCD1 855/4885CD274 1059/4885PNMT 4019/4885
US-20170247365-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 PDCD1 855/4885CD274 1059/4885PNMT 4019/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 PDCD1 855/4885CD274 1059/4885PNMT 4019/4885

“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.