SCHEMBL23040992

SCHEMBL23040992

O=C(O)c1nc(-c2ccc(OCCO)cc2)nc2c(Cl)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 4/20 0.48
PRKAG1 P54619 4/20 0.48
PRKAA2 P54646 4/20 0.48
PRKAA1 Q13131 4/20 0.48
PRKAG3 Q9UGI9 4/20 0.48
PRKAG2 Q9UGJ0 4/20 0.48
PRKAB1 Q9Y478 4/20 0.48
GAA P10253 2/20 0.43
DHODH Q02127 2/20 0.40
DYRK1A Q13627 2/20 0.39
ALDH1A1 P00352 3/20 0.38
RECQL P46063 1/20 0.38
PDE10A Q9Y233 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL23051077 0.86 GAA (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29417332 0.84 DYRK1A (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23040877 0.84 DYRK1A (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23040993 0.82 MAPT (0.39) GAADHODHALDH1A1RECQLPDE10A
SCHEMBL29417277 0.80 DHODH (0.45) DHODHDYRK1AMAPTCYP1A2
SCHEMBL23040882 0.80 DHODH (0.45) DHODHDYRK1AMAPTCYP1A2
SCHEMBL29417323 0.78 DHODH (0.43) DHODHDYRK1AMAPTHPGDMEN1
SCHEMBL23040840 0.78 DHODH (0.43) DHODHDYRK1AMAPTHPGDMEN1
SCHEMBL23040831 0.76 MAPT (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29417298 0.76 MAPT (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348549-A1 QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-11-03 US disclosed
EP-4021895-A1 NOVEL QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2022-07-06 EP disclosed
CN-114144401-A Novel quinazoline compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed
WO-2021037868-A1 NOVEL QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-03-04 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 (1 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-20220348549-A1 QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HAVCR2, RECQL, SLC10A1 PRKAB2 4687/4885PRKAG1 4701/4885PRKAA2 4779/4885

“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.