SCHEMBL29644499

SCHEMBL29644499

Nc1ncnc2c1ccc1nccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.39
PI4K2B Q8TCG2 3/20 0.39
PI4K2A Q9BTU6 3/20 0.39
PI4KB Q9UBF8 3/20 0.39
EGFR P00533 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
MKNK2 Q9HBH9 1/20 0.36
XDH P47989 5/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL29644503 0.76 LIMK1 (0.35) KDRABL1CHEK1MAP4K4CSF1R
SCHEMBL30952541 0.72 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBKDR
SCHEMBL22509642 0.68 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL20417744 0.67 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL1092848 0.67 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL10051003 0.67 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL20567950 0.67 MKNK2 (0.44) EGFRKDM4EHSD17B10ALDH1A1MKNK2
SCHEMBL21127668 0.66 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL30837303 0.66 MAPKAPK2 (0.37) KDRCHEK1MAP4K4CSF1RPRKACA
SCHEMBL19812349 0.64 DYRK1A (0.33) KDRCHEK1MAP4K4CSF1RPRKACA

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-20240254117-A1 PYRIMIDO-HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2024-08-01 US disclosed
CN-114685487-B Pyrimidine heterocyclic compounds, preparation method and application 上海凌达生物医药有限公司 2024-04-19 CN disclosed
CN-114685487-A Pyrimidine heterocyclic compound, preparation method and application 上海凌达生物医药有限公司 2022-07-01 CN 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-20240254117-A1 PYRIMIDO-HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF TYMS, TYMP, SLC5A11 PI4KA 1531/4885PI4K2B 1733/4885PI4K2A 1967/4885

“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.