SCHEMBL24167307

SCHEMBL24167307

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
PARP1 P09874 7/20 0.45
IP6K1 Q92551 3/20 0.43
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CHEK1 O14757 2/20 0.37
PIM1 P11309 2/20 0.37
RPS6KA3 P51812 1/20 0.37
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
INSR P06213 1/20 0.36

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
SCHEMBL24168199 0.94 PARP1 (0.44) KDM4EGAAPARP1IP6K1THRA
SCHEMBL24167407 0.87 IP6K1 (0.43) PARP1IP6K1THRATHRBFBP1
SCHEMBL642058 0.86 PARP1 (0.47) PARP1IP6K1CHEK1PIM1RPS6KA3
SCHEMBL15928076 0.84 PARP1 (0.48) PARP1IP6K1CHEK1PIM1RPS6KA3
SCHEMBL24168319 0.84 PARP1 (0.50) PARP1IP6K1CHEK1PIM1RPS6KA3
SCHEMBL24167992 0.84 PARP1 (0.38) KDM4EGAAPARP1IP6K1THRA
SCHEMBL4374729 0.83 PARP1 (0.47) PARP1IP6K1CHEK1PIM1RPS6KA3
SCHEMBL157879 0.81 PARP1 (0.52) PARP1IP6K1CHEK1PIM1RPS6KA3
SCHEMBL29365309 0.81 PARP1 (0.52) PARP1IP6K1CHEK1PIM1RPS6KA3
SCHEMBL26006886 0.79 KDM4E (0.51) KDM4EGAAPARP1IP6K1KDM4A

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

“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.