SCHEMBL134859

SCHEMBL134859

OB(O)c1ccc2c3c(ccnc13)CCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.36
OGA O60502 1/20 0.36
PRKCI P41743 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ERN1 O75460 2/20 0.33
DYRK1A Q13627 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
MAPK14 Q16539 3/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
Hydrochloric Acid SCHEMBL244567 0.99 CYP3A4 (0.41) CYP3A4PKMOGAPRKCIKDM4E
SCHEMBL12992927 0.92 CTNNB1 (0.41) CYP3A4PKMOGAPRKCIDYRK1A
SCHEMBL3298423 0.80 CYP3A4 (0.41) CYP3A4PKMOGAPRKCIKDM4E
SCHEMBL10158700 0.80 ERN1 (0.41) CYP3A4PKMOGAPRKCIKDM4E
SCHEMBL12992618 0.79
SCHEMBL13191570 0.78 CTNNB1 (0.40) CYP3A4DYRK1AKDM4CCTNNB1WNT3A
SCHEMBL10157309 0.78 KDM4E (0.44) CYP3A4PKMOGAPRKCIKDM4E
SCHEMBL18288206 0.77 DYRK1A (0.42) CYP3A4PKMOGAPRKCIKDM4E
SCHEMBL20261219 0.77 CYP3A4 (0.37) CYP3A4PKMOGAPRKCIKDM4E
SCHEMBL10272113 0.77 DYRK1A (0.39) CYP3A4PKMOGAPRKCIKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-10544177-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-01-28 US disclosed
WO-2019198024-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-10-17 WO disclosed
US-20190144475-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-16 US disclosed
US-10221203-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-05 US disclosed
EP-3181555-B1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2018-11-28 EP disclosed
EP-3016714-B1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES HIVIH (FR) 2018-09-19 EP 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
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US 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 (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-20190144475-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF DCPS, PPIP5K2, PNPO CYP3A4 1314/4885PKM 1676/4885OGA 296/4885
US-20210024503-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, CCNI, IRF3 CYP3A4 50/4885PKM 3045/4885OGA 969/4885
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 CYP3A4 999/4885PKM 3564/4885OGA 3612/4885
US-11505543-B2 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication EIF2AK2, CCNI, IRF3 CYP3A4 50/4885PKM 3045/4885OGA 969/4885
US-10544177-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof DCPS, PNPO, PPIP5K2 CYP3A4 1241/4885PKM 1574/4885OGA 222/4885
US-10221203-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof DCPS, PNPO, PPIP5K2 CYP3A4 1241/4885PKM 1574/4885OGA 222/4885
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E CYP3A4 786/4885PKM 2337/4885OGA 3655/4885

“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.