SCHEMBL17833941

SCHEMBL17833941

C=CC(=O)N1CCN(C2CCN(C(=O)CNc3cc(OC)c(Cl)cc3Cl)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 4/20 0.56
▸ SHMT2 P34897 2/20 0.49
▸ GAA P10253 1/20 0.43
▸ EGFR P00533 8/20 0.40
▸ ERBB2 P04626 4/20 0.40
▸ LRRK2 Q5S007 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
SCHEMBL31672345 0.92 KRAS (0.67) KRASSHMT2GAAEGFRERBB2
SCHEMBL16117831 0.92 KRAS (0.67) KRASSHMT2GAAEGFRERBB2
SCHEMBL16122360 0.87 KRAS (0.57) KRASGAAEGFRERBB2
SCHEMBL16122737 0.87 KRAS (0.66) KRASSHMT2GAAEGFRERBB2
SCHEMBL21302149 0.84 KRAS (0.80) KRASSHMT2GAAEGFRERBB2
SCHEMBL16122678 0.84 KRAS (0.57) KRASSHMT2GAAEGFRERBB2
SCHEMBL16122355 0.84 KRAS (0.58) KRASSHMT2GAAEGFRERBB2
SCHEMBL16122814 0.83 KRAS (0.50) KRASGAAEGFRERBB2
SCHEMBL16122631 0.82 KRAS (0.76) KRASSHMT2GAAEGFRERBB2
SCHEMBL16117832 0.82 KRAS (0.83) KRASSHMT2ERBB2

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-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — 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-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885SHMT2 1327/4885GAA 2526/4885

“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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