SCHEMBL22984916

SCHEMBL22984916

COc1cc(Cl)c(-c2cccnc2)cc1NCC(=O)N1CCN(C(C)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.46
▸ GAA P10253 1/20 0.44
▸ ALK Q9UM73 5/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ CYP21A2 P08686 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ SCD O00767 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL16117748 0.90 KRAS (0.46) CYP11B2GAAKDM1AMKNK1MKNK2
SCHEMBL20953771 0.82 GAA (0.46) GAAALKSCD
SCHEMBL16117749 0.79 KRAS (0.48) GAAALKSCD
SCHEMBL16117750 0.79 KRAS (0.50) GAASCD
SCHEMBL16117759 0.77 KRAS (0.50) GAAKDM1AHTT
SCHEMBL16122736 0.76 KRAS (0.62) CYP11B2KDM1ASCD
SCHEMBL16117729 0.76 KRAS (0.47) GAAKDM1A
SCHEMBL16117735 0.76 KRAS (0.47) GAASCD
SCHEMBL16117740 0.75 GAA (0.44) GAASCD
SCHEMBL16122351 0.75 KRAS (0.46) GAAALKKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 — — 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-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS CYP11B2 4301/4885GAA 1747/4885ALK 1961/4885

“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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