SCHEMBL22924127

SCHEMBL22924127

CCc1c(C)ccc2c(Cl)cn(C)c12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ PTPN11 Q06124 1/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS2 P35228 1/20 0.30

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
SCHEMBL25667872 0.78 NQO2 (0.44) NQO2PTPN11
SCHEMBL25677898 0.72 NOS3 (0.33) NOS3NOS2
SCHEMBL22349135 0.72 — —
SCHEMBL17232508 0.69 NOS3 (0.38) NOS3NOS2
SCHEMBL19932128 0.65 NOS3 (0.38) NOS3NOS2
SCHEMBL19412656 0.65 NOS2 (0.48) NOS3NOS2
SCHEMBL25702523 0.64 NOS2 (0.43) SLC22A12NOS3NOS2
SCHEMBL11891675 0.64 NOS3 (0.40) NOS3NOS2
SCHEMBL18508626 0.63 PSEN1 (0.43) SLC22A12
SCHEMBL19003090 0.62 SIRT1 (0.40) NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20210024501-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS NQO2 362/4885SLC22A12 3622/4885PTPN11 1037/4885
US-11377441-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS NQO2 362/4885SLC22A12 3622/4885PTPN11 1037/4885

“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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