SCHEMBL29702869

SCHEMBL29702869

Nc1ncnc2cc[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.59
PI4KA P42356 5/20 0.45
PI4K2B Q8TCG2 5/20 0.45
PI4K2A Q9BTU6 5/20 0.45
PI4KB Q9UBF8 5/20 0.45
LMNA P02545 1/20 0.45
DRD3 P35462 1/20 0.45
XDH P47989 1/20 0.45
LRRK2 Q5S007 1/20 0.45
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MAP4K4 O95819 1/20 0.41
EIF4E P06730 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
LIMK1 P53667 1/20 0.38
MAPK1 P28482 2/20 0.35
EGFR P00533 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
SCHEMBL397656 1.00 DYRK1A (0.59) DYRK1API4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL3353317 0.98 DYRK1A (0.57) DYRK1API4KAPI4K2BPI4K2API4KB
Formic Acid SCHEMBL31745015 0.89 DYRK1A (0.49) DYRK1API4KAPI4K2BPI4K2API4KB
SCHEMBL3386908 0.74 DYRK1A (0.59) DYRK1AMAP4K4EIF4EMKNK1MKNK2
SCHEMBL2078428 0.74 DYRK1A (0.59) DYRK1AEIF4EMKNK1MKNK2IRAK4
SCHEMBL32425027 0.74 DYRK1A (1.00) DYRK1AEIF4EMKNK1MKNK2IRAK4
SCHEMBL23158613 0.74 DYRK1A (0.64) DYRK1AEIF4EMKNK1MKNK2IRAK4
SCHEMBL1056424 0.74 DYRK1A (0.59) DYRK1AEIF4EMKNK1MKNK2IRAK4
SCHEMBL8223 0.74 DYRK1A (1.00) DYRK1AEIF4EMKNK1MKNK2IRAK4
SCHEMBL13186164 0.74 DYRK1A (0.59) DYRK1AEIF4EMKNK1MKNK2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN claimed
US-12195468-B2 TLR7 agonist for treating colorectal cancer and pharmaceutical combination thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-01-14 US disclosed
CN-112823159-B Aromatic heterocyclic compounds with kinase inhibitory activity 上海轶诺药业有限公司 2024-03-01 CN disclosed
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed
CN-115707705-A Aromatic heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-02-21 CN disclosed
US-20220235053-A1 TLR7 AGONIST FOR TREATING COLORECTAL CANCER AND PHARMACEUTICAL COMBINATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-07-28 US 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 (2 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-20220235053-A1 TLR7 AGONIST FOR TREATING COLORECTAL CANCER AND PHARMACEUTICAL COMBINATION THEREOF TLR7, TLR9, TLR1 DYRK1A 801/4885PI4KA 952/4885PI4K2B 1447/4885
US-12195468-B2 TLR7 agonist for treating colorectal cancer and pharmaceutical combination thereof TLR7, TLR9, TLR1 DYRK1A 801/4885PI4KA 952/4885PI4K2B 1447/4885

“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.