SCHEMBL17818181

SCHEMBL17818181

C=CC(=O)N1CCN(c2ccnc3c(F)c(-c4ccc(F)cc4F)c(F)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KRAS P01116 6/20 0.43
EGFR P00533 1/20 0.43
HMOX2 P30519 1/20 0.43
CRYZ Q08257 1/20 0.43
VAT1 Q99536 1/20 0.43
RTN4 Q9NQC3 1/20 0.43
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.38
BCL2A1 Q16548 4/20 0.37
FAAH O00519 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BID P55957 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL16636983 0.84 KRAS (0.61) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29765668 0.84 KRAS (0.61) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23565220 0.77 KRAS (0.64) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29766036 0.76 KRAS (0.58) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29765950 0.76 KRAS (0.70) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16636888 0.76 KRAS (0.58) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16647016 0.76 KRAS (0.70) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29654141 0.74 KRAS (0.48) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29517664 0.73 KRAS (0.48) KRASEGFRHMOX2CRYZVAT1
SCHEMBL20296659 0.73 KRAS (0.48) 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.