SCHEMBL29628182

SCHEMBL29628182

COc1ccc(CNc2nccc3cnc(-c4ccc(Oc5cc(OC)ccn5)cc4)n23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
THRB P10828 2/20 0.44
MAPT P10636 1/20 0.44
CLK4 Q9HAZ1 9/20 0.41
CLK1 P49759 3/20 0.41
DYRK1A Q13627 6/20 0.39
CLK2 P49760 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
TP53 P04637 1/20 0.38
FYN P06241 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ASPH Q12797 2/20 0.36
KDM8 Q8N371 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL19878173 1.00 GAA (0.44) GAATHRBMAPTCLK4CLK1
SCHEMBL19878143 0.81 VNN1 (0.47) GAATHRBMAPTCLK4CLK1
SCHEMBL30366987 0.80 KMT2A (0.53) GAATHRBMAPTCLK4CLK1
SCHEMBL19878142 0.79 ABL1 (0.53) MAPTCLK4DYRK1ADYRK1BFYN
SCHEMBL13201555 0.79 GAA (0.49) GAATHRBMAPTCLK4CLK1
SCHEMBL30289608 0.67 MEN1 (0.43) MAPTCLK4DYRK1BFYNKDM4E
SCHEMBL13201559 0.66 TP53 (0.47) GAATHRBMAPTCLK4CLK1
SCHEMBL30289647 0.66 CYP1A2 (0.40) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL13201557 0.65 TP53 (0.46) GAATHRBMAPTCLK4CLK1
SCHEMBL30289586 0.65 LPAR1 (0.44) MAPTKDM4EMEN1ALDH1A1HPGD

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-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 EP disclosed
CN-109843858-B Certain chemical entities, compositions and methods 润新生物公司 2023-05-05 CN disclosed
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 EP 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-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 GAA 1221/4885THRB 3662/4885MAPT 2087/4885

“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.