SCHEMBL461205

SCHEMBL461205

CC1(C)OB(c2ccc3c(c2)CCCO3)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.39
LIPG Q9Y5X9 9/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CTNNB1 P35222 5/20 0.38
WNT3A P56704 5/20 0.38
NOTUM Q6P988 1/20 0.37
RIPK1 Q13546 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
PRKCI P41743 1/20 0.36
P2RX7 Q99572 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
SCHEMBL31500552 1.00 LPL (0.39) LPLLIPGCLK1DYRK1ADYRK1B
SCHEMBL4427556 0.91 PRKCI (0.41) LPLLIPGDYRK1ADYRK1BIRAK4
SCHEMBL29775936 0.91 PRKCI (0.41) LPLLIPGDYRK1ADYRK1BIRAK4
SCHEMBL17042528 0.88 LPL (0.39) LPLLIPGCTNNB1WNT3AP2RX7
SCHEMBL23653004 0.87 DYRK1A (0.36) LPLLIPGCLK1DYRK1ADYRK1B
SCHEMBL15335321 0.83 LPL (0.42) LPLLIPG
SCHEMBL12650430 0.81 CLK1 (0.34) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL483159 0.81 LPL (0.43) LPLLIPGIRAK4P2RX7
SCHEMBL5781980 0.79 LPL (0.46) LPLLIPGP2RX7
SCHEMBL4158988 0.79 LPL (0.44) LPLLIPGP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 EP disclosed
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP disclosed
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-10-10 US disclosed
US-20230167068-A1 BENZOPYRAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
US-11505543-B2 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2022-11-22 US disclosed
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2021-10-14 US disclosed
WO-2021136429-A1 BENZOPYRAZOLE COMPOUND 南京明德新药研发有限公司 2021-07-08 WO disclosed
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-05-04 US disclosed
EP-3774775-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-02-17 EP disclosed
US-20210024503-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-01-28 US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 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 (9 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-20230167068-A1 BENZOPYRAZOLE COMPOUND ABCB1, CYP3A43, CYP3A5 LPL 1110/4885LIPG 2065/4885CLK1 2687/4885
US-20210024503-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, CCNI, IRF3 LPL 4805/4885LIPG 3413/4885CLK1 3380/4885
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SLC10A1, VAT1, LIPC LPL 354/4885LIPG 603/4885CLK1 515/4885
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, LIPC LPL 354/4885LIPG 603/4885CLK1 515/4885
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 LPL 4633/4885LIPG 3061/4885CLK1 3440/4885
US-11505543-B2 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication EIF2AK2, CCNI, IRF3 LPL 4805/4885LIPG 3413/4885CLK1 3380/4885
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, VAPB LPL 499/4885LIPG 837/4885CLK1 589/4885
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E LPL 4420/4885LIPG 3236/4885CLK1 2679/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E LPL 4697/4885LIPG 3327/4885CLK1 3986/4885

“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.