SCHEMBL21702310

SCHEMBL21702310

COC(=O)c1nnc(C)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
S1PR4 O95977 1/20 0.43
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
RCE1 Q9Y256 1/20 0.38
NOTUM Q6P988 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL1343778 0.83 NPSR1 (0.45) NPSR1S1PR4ALDH1A1L3MBTL1KDM4E
SCHEMBL29922648 0.83 NPSR1 (0.45) NPSR1S1PR4ALDH1A1L3MBTL1KDM4E
SCHEMBL31214079 0.81 NPSR1 (0.43) NPSR1S1PR4ALDH1A1L3MBTL1KDM4E
SCHEMBL18561335 0.81 NPSR1 (0.46) NPSR1ALDH1A1KDM4EHPGDATM
SCHEMBL26663143 0.80 KDM4E (0.43) NPSR1ALDH1A1L3MBTL1KDM4EPKM
SCHEMBL24770277 0.79 NPSR1 (0.45) NPSR1ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL27238747 0.76 NPSR1 (0.38) NPSR1S1PR4ALDH1A1L3MBTL1KDM4E
SCHEMBL31233771 0.75 SLC6A3 (0.42) NPSR1ALDH1A1L3MBTL1HPGDTSHR
SCHEMBL21679164 0.74 NPSR1 (0.43) NPSR1S1PR4ALDH1A1L3MBTL1KDM4E
SCHEMBL31473635 0.74 NPSR1 (0.43) NPSR1S1PR4ALDH1A1L3MBTL1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2024-08-29 US disclosed
EP-4352055-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2024-04-17 EP disclosed
CN-117794927-A O-linked thiadiazolyl compounds as inhibitors of DNA polymerase theta 伊迪亚生物科学有限公司 2024-03-29 CN disclosed
WO-2022259204-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-12-15 WO disclosed
WO-2022259204-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-12-15 WO 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
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-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 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 (4 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 NPSR1 4121/4885S1PR4 2949/4885ALDH1A1 1223/4885
US-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLB NPSR1 4845/4885S1PR4 4602/4885ALDH1A1 2542/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 NPSR1 3821/4885S1PR4 2305/4885ALDH1A1 1247/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP NPSR1 4121/4885S1PR4 2949/4885ALDH1A1 1223/4885

“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.