SCHEMBL18770813

SCHEMBL18770813

CN(C)CCCOc1nc(N2CCN(C=O)CC2)c2cc(Cl)c(-c3cc(O)cc4ccccc34)c(F)c2n1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.67

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
SCHEMBL19422032 0.92 KRAS (0.67) KRAS
SCHEMBL18770827 0.91 KRAS (0.64) KRAS
SCHEMBL20970389 0.90 KRAS (0.64) KRAS
SCHEMBL20970427 0.90 KRAS (0.66) KRAS
SCHEMBL19412169 0.90 KRAS (0.64) KRAS
SCHEMBL19296827 0.89 KRAS (0.63) KRAS
SCHEMBL20970462 0.88 KRAS (0.63) KRAS
SCHEMBL19411967 0.87 KRAS (0.61) KRAS
SCHEMBL20970320 0.86 KRAS (0.61) KRAS
SCHEMBL16647215 0.86 KRAS (0.72) KRAS

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10822312-B2 Substituted quinazoline compounds and methods of use ARAXES PHARMA LLC (US) 2020-11-03 US disclosed
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA, LLC 2019-05-02 US disclosed
US-20180246102-A1 METHOD FOR SCREENING INHIBITORS OF RAS ARAXES PHARMA LLC 2018-08-30 US disclosed
EP-3364977-A2 METHOD FOR SCREENING INHIBITORS OF RAS Araxes Pharma LLC (US) 2018-08-29 EP disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-9810690-B2 Method for screening inhibitors of Ras ARAXES PHARMA LLC (US) 2017-11-07 US disclosed
US-9810690-B2 Method for screening inhibitors of Ras ARAXES PHARMA LLC (US) 2017-11-07 US disclosed
WO-2017172979-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA LLC (US) 2017-10-05 WO disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170131278-A1 METHOD FOR SCREENING INHIBITORS OF RAS ARAXES PHARMA LLC 2017-05-11 US disclosed
US-20170131278-A1 METHOD FOR SCREENING INHIBITORS OF RAS ARAXES PHARMA LLC 2017-05-11 US disclosed
WO-2017070256-A2 METHOD FOR SCREENING INHIBITORS OF RAS ARAXES PHARMA LLC (US) 2017-04-27 WO 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 (4 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS KRAS 1/4885
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE NRAS, KRAS, HRAS KRAS 2/4885
US-10822312-B2 Substituted quinazoline compounds and methods of use NRAS, KRAS, HRAS KRAS 2/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS KRAS 1/4885

“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.