SCHEMBL4124624

SCHEMBL4124624

C1CNC2CNCCC2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 2/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
EPAS1 Q99814 1/20 0.33
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
APLNR P35414 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NOS2 P35228 1/20 0.30
CYP2D6 P10635 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
SCHEMBL20202125 1.00 MBTD1 (0.36) MBTD1L3MBTL3EPAS1SLC6A1SLC6A11
SCHEMBL29412823 1.00 MBTD1 (0.36) MBTD1L3MBTL3EPAS1SLC6A1SLC6A11
SCHEMBL1545958 0.93 EPAS1 (0.36) MBTD1L3MBTL3EPAS1
SCHEMBL657268 0.91 SLC6A1 (0.35) MBTD1L3MBTL3SLC6A1SLC6A11TSHR
SCHEMBL10061284 0.87
SCHEMBL20758575 0.87
SCHEMBL27379204 0.87
SCHEMBL10062020 0.87
SCHEMBL474475 0.87
Hydrochloric Acid SCHEMBL30665810 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-06-07 US disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
WO-2021139599-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 WO disclosed
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-05-06 US disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2020-11-17 US disclosed
US-10683256-B2 Process for preparing substituted biphenyls BASF SE (DE) 2020-06-16 US disclosed
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2020-05-14 US disclosed
WO-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 WO disclosed
US-10407383-B2 Cyclopentene and cyclopentadiene compounds for controlling invertebrate pests BASF SE (DE) 2019-09-10 US disclosed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20110306604-A1 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110306604-A1 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
WO-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 WO disclosed
WO-2010021919-A1 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-02-25 WO disclosed
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2010-01-21 US disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
US-7319106-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2008-01-15 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 (12 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-10683256-B2 Process for preparing substituted biphenyls PIK3CA, PIK3CB, PIK3CG MBTD1 2246/4885L3MBTL3 3674/4885EPAS1 2076/4885
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP MBTD1 2243/4885L3MBTL3 1914/4885EPAS1 1006/4885
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL MBTD1 4084/4885L3MBTL3 3319/4885EPAS1 4543/4885
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL MBTD1 4084/4885L3MBTL3 3319/4885EPAS1 4543/4885
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL MBTD1 4084/4885L3MBTL3 3319/4885EPAS1 4543/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL MBTD1 1804/4885L3MBTL3 3408/4885EPAS1 3295/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 MBTD1 2997/4885L3MBTL3 4813/4885EPAS1 2956/4885
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors CDK4, CDK6, CDK2 MBTD1 3453/4885L3MBTL3 2143/4885EPAS1 4093/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL MBTD1 4084/4885L3MBTL3 3319/4885EPAS1 4543/4885
US-10407383-B2 Cyclopentene and cyclopentadiene compounds for controlling invertebrate pests PPIE, ECI1, PPID MBTD1 2786/4885L3MBTL3 3404/4885EPAS1 2104/4885
US-20110306604-A1 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS CALCRL, CCKBR, CCKAR MBTD1 2090/4885L3MBTL3 2553/4885EPAS1 3104/4885
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF CDK4, CDK6, CDK1 MBTD1 2940/4885L3MBTL3 1798/4885EPAS1 3993/4885

“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.