SCHEMBL29834720

SCHEMBL29834720

Nc1ccc(Oc2ccnc(N3CCCCC3)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.41
CNR2 P34972 2/20 0.40
NFKB1 P19838 2/20 0.39
NR2C2 P49116 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
TAB1 Q15750 2/20 0.39
CCR6 P51684 1/20 0.38
LRRK2 Q5S007 2/20 0.37
CXCR4 P61073 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
NMT1 P30419 1/20 0.36
ELOVL1 Q9BW60 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
MAPK13 O15264 1/20 0.35

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
SCHEMBL29834784 0.99 HRH4 (0.39) HRH4CNR2NFKB1NR2C2NFKB2
SCHEMBL24037401 0.87 MAPK13 (0.47) CNR2LRRK2ELOVL1MAPK13
SCHEMBL27096991 0.82 LRRK2 (0.39) LRRK2
SCHEMBL27096964 0.81 OPRD1 (0.35) CCR6LRRK2NMT1
SCHEMBL27096891 0.80 LRRK2 (0.43) CCR6LRRK2
SCHEMBL11958457 0.80 NR4A1 (0.37) ALDH1A1
SCHEMBL29834771 0.79 LRRK2 (0.43) LRRK2HTT
SCHEMBL29834781 0.79 TYK2 (0.36) MAPK13
SCHEMBL13232321 0.79 HRH4 (0.49) HRH4CNR2NFKB1NR2C2NFKB2
SCHEMBL29834705 0.79 MAP4K4 (0.43) LRRK2CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398805-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2024-12-05 US disclosed
WO-2022170043-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ACCUTAR BIOTECHNOLOGY, INC. (US) 2022-08-11 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-20240398805-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ERBB2, EGFR, ERBB4 HRH4 601/4885CNR2 2278/4885NFKB1 3334/4885

“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.