SCHEMBL29834801

SCHEMBL29834801

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.54
▸ EHMT2 Q96KQ7 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ PIK3CA P42336 4/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ RCOR1 Q9UKL0 1/20 0.49
▸ EGFR P00533 4/20 0.49
▸ DNMT3A Q9Y6K1 1/20 0.49
▸ PIK3CD O00329 3/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ GPR119 Q8TDV5 2/20 0.45

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
SCHEMBL29834737 0.92 NSD2 (0.47) NSD2EHMT2ALDH1A1PIK3CAKDM1A
SCHEMBL29834627 0.89 NSD2 (0.54) NSD2EHMT2ALDH1A1PIK3CAKDM1A
SCHEMBL28983513 0.82 PIK3CD (0.49) PIK3CAEGFRPIK3CDPIK3CBPIK3CG
SCHEMBL29686088 0.82 PIK3CD (0.49) PIK3CAEGFRPIK3CDPIK3CBPIK3CG
SCHEMBL29834658 0.81 CNR1 (0.47) NSD2EHMT2ALDH1A1PIK3CAKDM1A
SCHEMBL24037920 0.79 EHMT2 (0.52) NSD2EHMT2PIK3CAEGFRPIK3CD
SCHEMBL27145045 0.78 EGFR (0.57) NSD2PIK3CAEGFRDNMT3APIK3CD
SCHEMBL27145372 0.78 EGFR (0.57) NSD2EHMT2PIK3CAEGFRDNMT3A
SCHEMBL30264576 0.78 EHMT2 (0.45) NSD2EHMT2PIK3CAPIK3CDPIK3CB
SCHEMBL31257544 0.76 PIK3CD (0.54) NSD2PIK3CAPIK3CDPIK3CBPIK3CG

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 1898/4885EHMT2 4166/4885ALDH1A1 4344/4885

“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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