SCHEMBL26322175

SCHEMBL26322175

Cc1c(Cc2ccnc(NS(C)(=O)=O)c2F)c(=O)oc2cc(Oc3ncccn3)ccc12

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.86
RAF1 P04049 15/20 0.86
CYP2C9 P11712 2/20 0.86
BRAF P15056 1/20 0.86
MAP2K2 P36507 1/20 0.86
MAP2K5 Q13163 1/20 0.86
CYP3A4 P08684 1/20 0.71
ALDH1A1 P00352 3/20 0.46
ALDH1A2 O94788 1/20 0.46
ALDH1B1 P30837 1/20 0.46
ALDH1A3 P47895 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
STS P08842 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL959646 0.93 MAP2K1 (0.86) MAP2K1RAF1CYP2C9BRAFMAP2K2
Avutometinib SCHEMBL960093 0.92 MAP2K1 (1.00) MAP2K1RAF1CYP2C9BRAFMAP2K2
Avutometinib SCHEMBL29515377 0.92 MAP2K1 (1.00) MAP2K1RAF1CYP2C9BRAFMAP2K2
Avutometinib SCHEMBL29358292 0.92 MAP2K1 (1.00) MAP2K1RAF1CYP2C9BRAFMAP2K2
SCHEMBL26997846 0.92 MAP2K1 (0.84) MAP2K1RAF1CYP2C9BRAFMAP2K2
Avutometinib SCHEMBL29360048 0.92 MAP2K1 (1.00) MAP2K1RAF1CYP2C9BRAFMAP2K2
Avutometinib SCHEMBL963841 0.92 MAP2K1 (0.98) MAP2K1RAF1CYP2C9BRAFMAP2K2
Avutometinib SCHEMBL959677 0.92 MAP2K1 (0.98) MAP2K1RAF1CYP2C9BRAFMAP2K2
Avutometinib SCHEMBL963844 0.92 MAP2K1 (0.98) MAP2K1RAF1CYP2C9BRAFMAP2K2
Avutometinib SCHEMBL959675 0.92 MAP2K1 (0.98) MAP2K1RAF1CYP2C9BRAFMAP2K2

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-11873296-B2 Solid forms of a dual RAF/MEK inhibitor VERASTEM, INC. (US) 2024-01-16 US disclosed
US-20230277535-A1 THERAPEUTIC COMPOSITIONS, COMBINATIONS, AND METHODS OF USE THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2023-09-07 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-11873296-B2 Solid forms of a dual RAF/MEK inhibitor BRAF, RAF1, NRAS MAP2K1 5/4885RAF1 2/4885CYP2C9 872/4885
US-20230277535-A1 THERAPEUTIC COMPOSITIONS, COMBINATIONS, AND METHODS OF USE BRAF, PTK2, NRAS MAP2K1 6/4885RAF1 8/4885CYP2C9 4659/4885

“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.