SCHEMBL29100896

SCHEMBL29100896

O=c1[nH]c2nccc(Cl)c2nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.56
AURKA O14965 6/20 0.49
AURKB Q96GD4 2/20 0.49
AXL P30530 1/20 0.38
PRKCI P41743 1/20 0.38
PARP1 P09874 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RUNX1 Q01196 1/20 0.35
CBFB Q13951 1/20 0.35
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL29100845 0.79 DAO (0.49) DAOAURKAAURKBPARP1
SCHEMBL17645730 0.74 DAO (0.42) DAOAURKAAURKBAXLPRKCI
SCHEMBL4753601 0.74 PARP1 (0.45) DAOAURKAAURKBAXLPRKCI
SCHEMBL29487153 0.74 PARP1 (0.45) DAOAURKAAURKBAXLPRKCI
SCHEMBL1917392 0.72 ADORA3 (0.39) DAOAURKAAURKBAXLPRKCI
SCHEMBL30633310 0.70 HTT (0.39) DAOAURKAAURKBAXLPRKCI
SCHEMBL26686556 0.70 HTT (0.39) DAOAURKAAURKBAXLPRKCI
SCHEMBL4371769 0.70 GAA (0.41) DAOAURKAAURKBAXLPRKCI
SCHEMBL30633371 0.70 DAO (0.39) DAOAURKAAURKBAXLPRKCI
SCHEMBL26686253 0.70 DAO (0.39) DAOAURKAAURKBAXLPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2024-03-28 US disclosed
CN-116981667-A Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment 蝎子疗法股份有限公司 2023-10-31 CN disclosed
EP-4225445-A2 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-16 EP disclosed
WO-2022076831-A2 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-14 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-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 DAO 3041/4885AURKA 408/4885AURKB 424/4885

“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.