SCHEMBL26006397

SCHEMBL26006397

COc1c([N+](=O)[O-])ccc2ncnc(Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.38
DYRK1A Q13627 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 2/20 0.36
MAPT P10636 2/20 0.36
PIN1 Q13526 1/20 0.36
JAK2 O60674 1/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
ALOX5 P09917 1/20 0.35
GSR P00390 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
SCHEMBL28998207 0.80 TDP1 (0.46) TDP1MEN1KMT2AEGFRMAPT
SCHEMBL28455625 0.78 EGFR (0.37) TDP1EGFRMAPTPIN1MAPK1
SCHEMBL8807809 0.75 EGFR (0.48) DYRK1ADYRK1BMEN1KMT2AEGFR
SCHEMBL28997168 0.74 EGFR (0.46) ABCG2EGFR
SCHEMBL30226060 0.74 EGFR (0.46) ABCG2EGFR
SCHEMBL11246685 0.74 EGFR (0.55) TDP1MEN1KMT2AEGFRHTT
SCHEMBL24168288 0.73 PARP1 (0.46) MEN1KMT2ATXNRD1ALDH1A1
SCHEMBL30064948 0.72 ALDH1A1 (0.41) MERTKTDP1MEN1KMT2AMAPT
SCHEMBL3249094 0.72 ALDH1A1 (0.41) MERTKTDP1MEN1KMT2AMAPT
SCHEMBL9275679 0.70 ALDH1A1 (0.49) MERTKTDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
WO-2022006386-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-01-06 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-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 MERTK 635/4885DYRK1A 638/4885DYRK1B 600/4885

“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.