SCHEMBL13611512

SCHEMBL13611512

CCOC(=O)c1cnc(Cl)nc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 4/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 1/20 0.46
DPP4 P27487 3/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
SYK P43405 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29922173 0.83 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL476310 0.83 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL3435395 0.83 RAB9A (0.53) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL31391972 0.83 RAB9A (0.53) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL16481703 0.82 TNF (0.35) ALDH1A1LMNACYP1A2POLBKDM4E
SCHEMBL14590443 0.82 HSP90AA1 (0.63) ALDH1A1LMNACYP1A2POLBKDM4E
SCHEMBL762026 0.81 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL31379759 0.81 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8395110 0.81 ALDH1A1 (0.50) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL26984232 0.81 CYP1A2 (0.72) ALDH1A1LMNACYP1A2POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 US disclosed
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (US) 2022-11-03 US disclosed
EP-4074711-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2022-10-19 EP disclosed
CN-114901658-A Nitrogen-containing heterocyclic ring autotaxin inhibitor, and composition and application thereof 四川海思科制药有限公司 2022-08-12 CN disclosed
EP-3656384-B1 COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
EP-3656384-B1 COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
WO-2021257353-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 WO disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
US-20160145255-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
EP-2903977-A1 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-12 EP disclosed
US-8778305-B2 PSMA-binding agents and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-15 US disclosed
WO-2014058747-A1 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-04-17 WO disclosed
WO-2014058747-A1 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-04-17 WO disclosed
US-20140100231-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2014-04-10 US disclosed
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 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 (7 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-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP ALDH1A1 1223/4885LMNA 2722/4885CYP1A2 651/4885
US-20160145255-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 ALDH1A1 1343/4885LMNA 1641/4885CYP1A2 1150/4885
US-20140100231-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 ALDH1A1 1343/4885LMNA 1641/4885CYP1A2 1150/4885
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1459/4885LMNA 4884/4885CYP1A2 2186/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 ALDH1A1 1247/4885LMNA 3609/4885CYP1A2 560/4885
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 ALDH1A1 1701/4885LMNA 2426/4885CYP1A2 2491/4885
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 ALDH1A1 4631/4885LMNA 1774/4885CYP1A2 3748/4885

“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.