SCHEMBL4465091

SCHEMBL4465091

Nc1ccc(OCCN2CCOCC2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.61
PRKAG1 P54619 1/20 0.61
PRKAA2 P54646 1/20 0.61
PRKAA1 Q13131 1/20 0.61
PRKAG3 Q9UGI9 1/20 0.61
PRKAG2 Q9UGJ0 1/20 0.61
PRKAB1 Q9Y478 1/20 0.61
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 1/20 0.57
LTA4H P09960 1/20 0.56
CYP1A2 P05177 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
MAPK1 P28482 2/20 0.54

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
SCHEMBL30586324 1.00 PRKAB2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL18291218 0.88 LTA4H (0.60) KDM4ELTA4HHRH3KCNH2
SCHEMBL17054991 0.88 LTA4H (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22164589 0.86 LTA4H (0.59) LTA4HHRH3KCNH2
SCHEMBL16964062 0.85 LTA4H (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL374497 0.83 LTA4H (0.67) CA12CA1CA2CA7CA9
SCHEMBL29711611 0.82 PRKAB2 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL18996610 0.82 PRKAB2 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16535859 0.82 TSHR (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20037920 0.82 NPC1 (0.60) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179022-A1 COMPOUND USED AS TYK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF SHANGHAI ZHIGEN PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2025-06-05 US disclosed
EP-4488268-A1 COMPOUND USED AS TYK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF Shanghai Zhigen Pharmaceutical & Technology Co. Ltd. (CN) 2025-01-08 EP disclosed
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 WO disclosed
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 WO disclosed
EP-4019518-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2022-06-29 EP disclosed
EP-3110820-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2022-04-06 EP disclosed
US-10196390-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-02-05 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
WO-2015131080-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2015-09-03 WO disclosed
EP-2900668-A1 MULTIPLE KINASE PATHWAY INHIBITORS MannKind Corporation (US) 2015-08-05 EP disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
EP-1534276-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-06-01 EP disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 WO 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 (5 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 PRKAB2 1613/4885PRKAG1 1539/4885PRKAA2 1088/4885
US-10196390-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 PRKAB2 1002/4885PRKAG1 1041/4885PRKAA2 1439/4885
US-20250179022-A1 COMPOUND USED AS TYK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF TYK2, WEE2, WEE1 PRKAB2 1993/4885PRKAG1 1830/4885PRKAA2 1452/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E PRKAB2 4534/4885PRKAG1 4417/4885PRKAA2 4398/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 PRKAB2 1002/4885PRKAG1 1041/4885PRKAA2 1439/4885

“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.