SCHEMBL22833435

SCHEMBL22833435

COc1cc(Cl)c(N)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.39
NNMT P40261 1/20 0.37
HSP90AA1 P07900 4/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
PDE2A O00408 1/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
HSP90AB1 P08238 3/20 0.35
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL30294903 1.00 TDO2 (0.39) TDO2NNMTHSP90AA1ALDH1A1NPC1
SCHEMBL28324862 0.80 POLB (0.42) HSP90AA1ALDH1A1NPC1RAB9AGAA
SCHEMBL12113616 0.79 NPC1 (0.41) ALDH1A1NPC1RAB9APOLBLMNA
SCHEMBL25393421 0.79 POLB (0.44) NNMTALDH1A1NPC1RAB9APDE2A
SCHEMBL95213 0.79 NNMT (0.39) TDO2NNMTALDH1A1NPC1RAB9A
SCHEMBL29839686 0.79 NNMT (0.39) TDO2NNMTALDH1A1NPC1RAB9A
SCHEMBL8446867 0.76 PGK1 (0.41) HSP90AA1ALDH1A1NPC1RAB9AGAA
SCHEMBL9382622 0.74 NR4A2 (0.44) HSP90AA1ALDH1A1NPC1RAB9APOLB
SCHEMBL26684117 0.73 POLB (0.44) NNMTALDH1A1GAAPOLBLMNA
SCHEMBL22207330 0.72 POLB (0.42) NNMTHSP90AA1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114040911-B As NAV1.8 2, 3-Dihydro-quinazoline Compounds as inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-10-22 CN disclosed
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 US disclosed
EP-3990436-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2022-05-04 EP disclosed
CN-114040911-A As NAV1.8 inhibitors of 2, 3-dihydroquinazoline compounds 葛兰素史密斯克莱知识产权发展有限公司 2022-02-11 CN disclosed
WO-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 WO disclosed
WO-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 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-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B TDO2 2127/4885NNMT 2738/4885HSP90AA1 3525/4885

“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.