SCHEMBL6906432

SCHEMBL6906432

O=C(O)c1cccnc1-c1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
TDP1 Q9NUW8 1/20 0.71
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
AGER Q15109 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NAPRT Q6XQN6 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP46A1 Q9Y6A2 2/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL29453799 1.00 KDM4E (0.71) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL30617925 0.98 KDM4E (0.69) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL14840737 0.98 KDM4E (0.69) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL20473184 0.98 KDM4E (0.69) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL31586013 0.89 KDM4E (0.77) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL912675 0.89 KDM4E (0.77) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL27967469 0.87 KDM4E (0.52) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL270419 0.84 KDM4E (1.00) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL16059482 0.84 PARP1 (0.50) KDM4ETDP1ALDH1A1CYP3A4HPGD
SCHEMBL31660092 0.84 PARP1 (0.50) KDM4ETDP1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250213547-A1 METHODS OF TREATING NEUROLOGICAL DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2025-07-03 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
EP-4251618-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Sage Therapeutics, Inc. (US) 2023-10-04 EP disclosed
WO-2023175591-A1 METHODS OF TREATING NEUROLOGICAL DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 WO disclosed
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. 2022-10-20 US disclosed
WO-2022115620-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SAGE THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
WO-2022115620-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SAGE THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
EP-3976186-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Sage Therapeutics, Inc. (US) 2022-04-06 EP disclosed
WO-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 WO disclosed
WO-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 WO disclosed
US-10829474-B2 Method for producing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-10 US disclosed
US-20200172509-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-04 US disclosed
US-10562881-B2 Method for producing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-18 US disclosed
US-20180297980-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-18 US disclosed
EP-3363796-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-08-22 EP disclosed
EP-2763979-A1 1 - ARYLCARBONYL - 4 - OXY - PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Takeda Pharmaceutical Company Limited (JP) 2014-08-13 EP disclosed
WO-2013054822-A1 1 - ARYLCARBONYL - 4 - OXY - PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-18 WO disclosed
US-6723723-B1 PYRIDYL, PYRIMIDINYL OR PYRIDAZINE DERIVATIVES; ANTICOAGULANTS ASTRAZENECA (SE) 2004-04-20 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 (3 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 KDM4E 1884/4885TDP1 262/4885L3MBTL1 4046/4885
US-20250213547-A1 METHODS OF TREATING NEUROLOGICAL DISEASES SMN1; SMN2, PMP22, GBA2 KDM4E 1925/4885TDP1 544/4885L3MBTL1 2698/4885
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYP46A1, CYP26A1, CYP21A2 KDM4E 2676/4885TDP1 273/4885L3MBTL1 4695/4885

“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.