SCHEMBL22328055

SCHEMBL22328055

Cc1cnc2[nH]ncc2c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 12/20 0.43
▸ TLR7 Q9NYK1 12/20 0.43
▸ TLR9 Q9NR96 7/20 0.43
▸ PDPK1 O15530 1/20 0.41
▸ XDH P47989 2/20 0.40
▸ RET P07949 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL21662935 0.76 PDPK1 (0.46) TLR7PDPK1XDHRETPI4KA
SCHEMBL10517093 0.75 CCNE2 (0.44) TLR8TLR7TLR9PDPK1XDH
SCHEMBL25776372 0.74 JAK3 (0.50) TLR8TLR7TLR9PDPK1XDH
SCHEMBL25795310 0.73 PDPK1 (0.43) PDPK1XDHRETPI4KALRRK2
SCHEMBL2675945 0.73 PDPK1 (0.43) PDPK1XDHRETPI4KALRRK2
SCHEMBL31128144 0.73 PDPK1 (0.43) PDPK1XDHRETPI4KALRRK2
SCHEMBL13705860 0.73 XDH (0.52) PDPK1XDHRETPI4KALRRK2
SCHEMBL29478852 0.73 PDPK1 (0.43) PDPK1XDHRETPI4KALRRK2
SCHEMBL17998677 0.73 PRKCI (0.59) RETLRRK2AURKACSF1R
Iodide SCHEMBL2674409 0.72 PDPK1 (0.42) PDPK1XDHRETPI4KALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
US-11377441-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2022-07-05 — — US disclosed
US-20210024501-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC 2021-01-28 — — US disclosed
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer ARAXES PHARMA LLC (US) 2020-08-11 — — 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 (5 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-20210024501-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS TLR8 4840/4885TLR7 4551/4885TLR9 4579/4885
US-11377441-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS TLR8 4840/4885TLR7 4551/4885TLR9 4579/4885
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer KRAS, NRAS, HRAS TLR8 4845/4885TLR7 4422/4885TLR9 4536/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 TLR8 3341/4885TLR7 2523/4885TLR9 4059/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS TLR8 4688/4885TLR7 4488/4885TLR9 4606/4885

“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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