SCHEMBL25795310

SCHEMBL25795310

Cc1cnc2[nH]ncc2c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.43
▸ XDH P47989 2/20 0.42
▸ RET P07949 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ CHEK1 O14757 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL31128144 1.00 PDPK1 (0.43) PDPK1XDHRETPI4KALRRK2
SCHEMBL21662935 0.79 PDPK1 (0.46) PDPK1XDHRETPI4KALRRK2
SCHEMBL13705860 0.76 XDH (0.52) PDPK1XDHRETPI4KALRRK2
SCHEMBL29478852 0.76 PDPK1 (0.43) PDPK1XDHRETPI4KALRRK2
SCHEMBL2675945 0.76 PDPK1 (0.43) PDPK1XDHRETPI4KALRRK2
Iodide SCHEMBL2674409 0.74 PDPK1 (0.42) PDPK1XDHRETPI4KALRRK2
SCHEMBL22328051 0.73 PDPK1 (0.41) PDPK1XDHRETPI4KALRRK2
SCHEMBL22349056 0.73 ALDH1A1 (0.42) PDPK1XDHRETPI4KALRRK2
SCHEMBL22328055 0.73 TLR8 (0.43) PDPK1XDHRETPI4KALRRK2
SCHEMBL23089249 0.71 PRKCI (0.62) RETLRRK2AURKAMAPK1AXL

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
EP-3967695-B1 1-(7-(QUINAZOLIN-4-YL)-2,7-DIAZASPIRO[3.5]NONAN-2-YL)PROP-2-EN-1-ONE DERIVATIVES AS KRAS INHIBITORS FOR THE TREATMENT OF CANCER BETTA PHARMACEUTICALS CO LTD (CN) 2024-01-17 — — EP disclosed
US-20230219956-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF BETTA PHARMACEUTICALS CO.,LTD (CN) 2023-07-13 — — US disclosed
US-20230219956-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF BETTA PHARMACEUTICALS CO.,LTD (CN) 2023-07-13 — — 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 (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-20230219956-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCG2, NQO2 PDPK1 200/4885XDH 822/4885RET 3828/4885

“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.

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