SCHEMBL23040824

SCHEMBL23040824

Cc1nc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.44
PARP1 P09874 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
DHODH Q02127 1/20 0.42
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
ATM Q13315 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MGAM O43451 1/20 0.38

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
SCHEMBL29417337 0.88 DHODH (0.43) NR4A2PARP1MEN1KMT2ANPC1
SCHEMBL23040847 0.88 CYP1A1 (0.43) NR4A2PARP1NPC1RAB9ASMN1; SMN2
SCHEMBL29417284 0.88 CYP1A1 (0.43) NR4A2PARP1NPC1RAB9ASMN1; SMN2
SCHEMBL23051055 0.88 DHODH (0.43) NR4A2PARP1MEN1KMT2ANPC1
SCHEMBL23201890 0.84 DHODH (0.40) NR4A2PARP1SMN1; SMN2ALDH1A1DHODH
SCHEMBL23040855 0.82 NR4A2 (0.40) NR4A2PARP1MEN1KMT2ANPC1
SCHEMBL23040993 0.80 MAPT (0.39) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13783330 0.79 NR4A2 (0.51) NR4A2PARP1MEN1KMT2ANPC1
SCHEMBL23040985 0.77 NPC1 (0.38) NR4A2PARP1MEN1KMT2ANPC1
SCHEMBL23040843 0.77 NOTUM (0.41) NR4A2PARP1MEN1KMT2ANPC1

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 9 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 claimed
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 claimed
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 claimed
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 claimed
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
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 NR4A2 808/4885PARP1 1858/4885MEN1 1174/4885

“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.