SCHEMBL409064

SCHEMBL409064

CC(C)C#Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 3/20 0.44
HSD17B2 P37059 1/20 0.41

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
SCHEMBL18397266 0.86 GRM5 (0.50) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL28714933 0.84 ALDH1A1 (0.57) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL6785314 0.81 ALDH1A1 (0.54) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL23583648 0.81 ALDH1A1 (0.46) GRM5ALDH1A1MAPTPKMHPGD
Methyl Alcohol SCHEMBL28902013 0.80 GRM5 (0.67) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL352291 0.79 GRM5 (0.65) GRM5KCNH2CYP1A2
SCHEMBL26080905 0.79 ALDH1A1 (0.60) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL5703460 0.79 ALDH1A1 (0.60) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL6765951 0.78 GRM5 (0.50) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL29610604 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228506-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-11 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-11166951-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) 2021-11-09 US disclosed
WO-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 WO disclosed
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA B.V. (NL) 2017-08-17 US disclosed
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA B.V. (NL) 2017-08-17 US disclosed
US-9643986-B2 Factor D inhibitors useful for treating inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-20150239837-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-8404672-B2 Substituted heterocyclic compounds BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
US-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2009-03-19 US disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (11 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 GRM5 3704/4885ALDH1A1 452/4885MAPT 3192/4885
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 GRM5 3969/4885ALDH1A1 4519/4885MAPT 4245/4885
US-20240228506-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 GRM5 2971/4885ALDH1A1 4577/4885MAPT 2729/4885
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 GRM5 3969/4885ALDH1A1 4519/4885MAPT 4245/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 GRM5 3704/4885ALDH1A1 452/4885MAPT 3192/4885
US-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES GRM5 3369/4885ALDH1A1 78/4885MAPT 4749/4885
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 GRM5 1846/4885ALDH1A1 158/4885MAPT 3703/4885
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 GRM5 3969/4885ALDH1A1 4519/4885MAPT 4245/4885
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 GRM5 1051/4885ALDH1A1 165/4885MAPT 2537/4885
US-20150239837-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders CFD, TFPI, TFPI2 GRM5 3127/4885ALDH1A1 2684/4885MAPT 3338/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 GRM5 1051/4885ALDH1A1 165/4885MAPT 2537/4885

“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.