SCHEMBL18968059

SCHEMBL18968059

Cc1ccc(Nc2cc(=O)n(C)cc2C(=O)N2CC(O)([C@@H]3CCCCN3)C2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 20/20 0.57
▸ MAP2K2 P36507 18/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ BRAF P15056 1/20 0.57
▸ DRD1 P21728 1/20 0.57
▸ TBXA2R P21731 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ OPRM1 P35372 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ ACTR3 P61158 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57

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
SCHEMBL1488377 0.92 MAP2K2 (0.69) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL30220987 0.92 MAP2K2 (0.69) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL17121710 0.92 MAP2K2 (0.69) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL30220939 0.89 MAP2K1 (0.55) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL1488244 0.89 MAP2K1 (0.55) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL18968056 0.87 MAP2K2 (0.61) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL21010852 0.85 MAP2K1 (0.51) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL21010529 0.84 MAP2K2 (0.65) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL18931262 0.84 MAP2K1 (0.72) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL6848293 0.83 MAP2K1 (0.46) MAP2K1MAP2K2CHRM2CHRM1BRAF

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-20170166523-A9 MEK Inhibitors And Methods Of Their Use EXELIXIS, INC. 2017-06-15 — — 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-20170166523-A9 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 MAP2K1 51/4885MAP2K2 49/4885CHRM2 4789/4885

“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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