SCHEMBL23040969

SCHEMBL23040969

COc1ccc(C(=O)Nc2c(Cl)cccc2C(=O)C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.49
KMT2A Q03164 3/20 0.49
F10 P00742 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
KCNJ11 Q14654 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MLYCD O95822 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL29417322 1.00 TLR7 (0.49) TLR7KMT2AF10RXFP1KCNJ11
SCHEMBL29760388 0.85 KMT2A (0.54) KMT2AF10NPC1RAB9ATP53
SCHEMBL23040986 0.85 KMT2A (0.54) KMT2AF10NPC1RAB9ATP53
SCHEMBL29417331 0.85 KMT2A (0.57) KMT2AF10NPC1RAB9ATP53
SCHEMBL23040849 0.85 KMT2A (0.57) KMT2AF10NPC1RAB9ATP53
SCHEMBL8082297 0.80 KDM4E (0.47) KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3783197 0.79 F10 (0.68) KMT2AF10NPC1RAB9ATP53
SCHEMBL8142651 0.74 KMT2A (0.69) KMT2ARXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL22573226 0.73 KMT2A (0.56) KMT2ANPC1RAB9ASMN1; SMN2PKM
SCHEMBL30485656 0.73 KMT2A (0.56) KMT2ANPC1RAB9ASMN1; SMN2PKM

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 5 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
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 TLR7 204/4885KMT2A 2248/4885F10 1764/4885

“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.