SCHEMBL17818185

SCHEMBL17818185

C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(-c4ccc(F)c(F)c4F)cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.61
EGFR P00533 1/20 0.61
HMOX2 P30519 1/20 0.61
CRYZ Q08257 1/20 0.61
VAT1 Q99536 1/20 0.61
RTN4 Q9NQC3 1/20 0.61

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
SCHEMBL29765751 0.86 KRAS (0.77) KRASEGFRHMOX2CRYZVAT1
SCHEMBL17030811 0.86 KRAS (0.64) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16646882 0.86 KRAS (0.77) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29765810 0.85 KRAS (0.62) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16636773 0.85 KRAS (0.62) KRASEGFRHMOX2CRYZVAT1
SCHEMBL20029665 0.81 KRAS (0.54) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16636908 0.81 KRAS (0.69) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29765766 0.81 KRAS (0.69) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29765668 0.81 KRAS (0.61) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16636983 0.81 KRAS (0.61) KRASEGFRHMOX2CRYZVAT1

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-10111874-B2 Combination therapies for treatment of cancer ARAXES PHARMA LLC (US) 2018-10-30 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 (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-10111874-B2 Combination therapies for treatment of cancer KRAS, TP53, HRAS KRAS 1/4885EGFR 16/4885HMOX2 2281/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885EGFR 16/4885HMOX2 2281/4885

“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.