SCHEMBL29834698

SCHEMBL29834698

N#CC1CCN(c2cc(Oc3ccc(N)c(F)c3)ccn2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.37
TGFBR1 P36897 2/20 0.35
LRRK2 Q5S007 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DCK P27707 1/20 0.34
JAK2 O60674 3/20 0.34
TYK2 P29597 3/20 0.34
KDM4E B2RXH2 1/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
BTK Q06187 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
SCHEMBL27299381 0.87 BTK (0.39) ACACBTGFBR1LRRK2HRH3JAK2
SCHEMBL29834705 0.82 MAP4K4 (0.43) ACACBLRRK2SCN10A
SCHEMBL29834784 0.79 HRH4 (0.39) LRRK2
SCHEMBL29834720 0.78 HRH4 (0.41) LRRK2
SCHEMBL29834626 0.77 KDR (0.42) ACACB
SCHEMBL24037401 0.76 MAPK13 (0.47) TGFBR1LRRK2
SCHEMBL29834771 0.76 LRRK2 (0.43) LRRK2KDM4E
SCHEMBL29834781 0.76 TYK2 (0.36) ACACBJAK2TYK2
SCHEMBL27096991 0.73 LRRK2 (0.39) TGFBR1LRRK2
SCHEMBL27096964 0.73 OPRD1 (0.35) LRRK2

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 ACACB 3363/4885TGFBR1 3868/4885LRRK2 386/4885

“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.