SCHEMBL24167992

SCHEMBL24167992

CN(CCOc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
IP6K1 Q92551 5/20 0.37
PDK2 Q15119 1/20 0.34
SLC2A1 P11166 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
MEN1 O00255 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CHEK1 O14757 1/20 0.31
PIM1 P11309 1/20 0.31
RPS6KA3 P51812 1/20 0.31

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
SCHEMBL24167307 0.84 KDM4E (0.46) PARP1KDM4EGAAIP6K1ALDH1A1
SCHEMBL24168199 0.81 PARP1 (0.44) PARP1KDM4EGAAIP6K1KMT2A
SCHEMBL15928076 0.78 PARP1 (0.48) PARP1IP6K1SLC2A1ALDH1A1CHEK1
SCHEMBL24167407 0.78 IP6K1 (0.43) PARP1IP6K1THRATHRB
SCHEMBL4374729 0.77 PARP1 (0.47) PARP1IP6K1SLC2A1ALDH1A1CHEK1
SCHEMBL642058 0.77 PARP1 (0.47) PARP1IP6K1SLC2A1ALDH1A1CHEK1
SCHEMBL24168319 0.76 PARP1 (0.50) PARP1IP6K1SLC2A1ALDH1A1KMT2A
SCHEMBL16741570 0.75 KDM4E (0.39) KDM4EGAAPDK2ALDH1A1KMT2A
SCHEMBL13648173 0.75 KDM4E (0.44) KDM4EGAAPDK2ALDH1A1KMT2A
SCHEMBL19174940 0.74 KDM4E (0.50) KDM4EGAAPDK2ALDH1A1KMT2A

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-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 PARP1 1458/4885KDM4E 3648/4885GAA 1807/4885

“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.