SCHEMBL29834627

SCHEMBL29834627

COc1cc2ncnc(Cl)c2cc1NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.54
▸ EGFR P00533 6/20 0.51
▸ EHMT2 Q96KQ7 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ PIK3CA P42336 3/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ RCOR1 Q9UKL0 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ DNMT3A Q9Y6K1 1/20 0.48
▸ PIK3CD O00329 3/20 0.47
▸ PIK3CB P42338 2/20 0.47
▸ PIK3CG P48736 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ EPHA2 P29317 1/20 0.46
▸ KDR P35968 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
SCHEMBL29834658 0.92 CNR1 (0.47) NSD2EGFREHMT2ALDH1A1PIK3CA
SCHEMBL24037920 0.90 EHMT2 (0.52) NSD2EGFREHMT2PIK3CAPIK3CD
SCHEMBL29834801 0.89 NSD2 (0.54) NSD2EGFREHMT2ALDH1A1PIK3CA
SCHEMBL2453138 0.85 PIK3CD (0.54) EGFRPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29465790 0.85 PIK3CD (0.54) EGFRPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29465791 0.85 PIK3CD (0.54) EGFRPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL665187 0.85 PIK3CD (0.54) EGFRPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29834662 0.84 EGFR (0.68) EGFREPHB4
SCHEMBL28983490 0.82 PIK3CD (0.48) EGFRPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17179600 0.82 EPHA2 (0.52) NSD2EGFRPIK3CAPIK3CDPIK3CB

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 NSD2 1898/4885EGFR 2/4885EHMT2 4166/4885

“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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