SCHEMBL21679118

SCHEMBL21679118

CCOC(=O)C(C)(C)c1cnc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.51
▸ MAOB P27338 1/20 0.46
▸ ABCB11 O95342 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RORC P51449 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL29922800 0.83 DGAT1 (0.49) CNR2MAOBABCB11CYP1A2CYP3A4
SCHEMBL17796511 0.83 DGAT1 (0.49) CNR2MAOBABCB11CYP1A2CYP3A4
SCHEMBL23169307 0.82 L3MBTL1 (0.45) CNR2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL8863722 0.79 CNR2 (0.48) CNR2MAOBABCB11CYP1A2CYP3A4
SCHEMBL2401834 0.76 CPB2 (0.44) CNR2MAOBALDH1A1MEN1KMT2A
SCHEMBL30940161 0.76 CPB2 (0.44) CNR2MAOBALDH1A1MEN1KMT2A
SCHEMBL6677336 0.76 ABCB11 (0.61) CNR2MAOBABCB11CYP1A2CYP3A4
SCHEMBL1979700 0.75 CNR2 (0.50) CNR2MAOBABCB11CYP1A2CYP3A4
SCHEMBL23293621 0.74 MAP4K4 (0.42) CYP1A2CYP3A4PPARAHPGDMEN1
SCHEMBL31292279 0.74 POLB (0.41) CNR2MAOBL3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 — — CN 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
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 (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-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP CNR2 3801/4885MAOB 1303/4885ABCB11 756/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 CNR2 3588/4885MAOB 2403/4885ABCB11 535/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP CNR2 3801/4885MAOB 1303/4885ABCB11 756/4885

“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.

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