SCHEMBL29834688

SCHEMBL29834688

C=CC(=O)N1CCC(Nc2cc3c(Cl)ncnc3cc2OCC)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.58
▸ ERBB2 P04626 3/20 0.49
▸ RIPK2 O43353 1/20 0.47
▸ RET P07949 1/20 0.47
▸ MET P08581 1/20 0.47
▸ EPHB2 P29323 1/20 0.47
▸ TEC P42680 1/20 0.47
▸ EPHB4 P54760 1/20 0.47
▸ EPHA4 P54764 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ TNK1 Q13470 1/20 0.47
▸ RIPK3 Q9Y572 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ FGFR2 P21802 1/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ FGFR3 P22607 1/20 0.47

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
SCHEMBL29834662 0.91 EGFR (0.68) EGFRERBB2RIPK2RETMET
SCHEMBL29834658 0.85 CNR1 (0.47) EGFREPHB4
SCHEMBL28983503 0.82 EGFR (0.61) EGFRERBB2RIPK2RETMET
SCHEMBL29834686 0.79 ENPP1 (0.52) EGFRFGFR1
SCHEMBL21612797 0.79 EGFR (0.69) EGFRERBB2RIPK2RETMET
SCHEMBL14489807 0.78 ENPP1 (0.55) EGFRERBB2RIPK2RETMET
SCHEMBL29834627 0.76 NSD2 (0.54) EGFREPHB4
SCHEMBL24375728 0.76 EGFR (0.72) EGFRERBB2RIPK2RETMET
SCHEMBL27148008 0.75 ENPP1 (0.54) EGFRERBB2RIPK2RETMET
SCHEMBL24714522 0.75 EGFR (0.62) EGFRERBB2RIPK2RETMET

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 EGFR 2/4885ERBB2 1/4885RIPK2 1352/4885

“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.

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