SCHEMBL18153473

SCHEMBL18153473

N#Cc1c(N)nc2c(F)c(Br)c(Cl)cc2c1N1CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 7/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP3A7 P24462 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A43 Q9HB55 1/20 0.37
KDM4E B2RXH2 2/20 0.33
CFD P00746 9/20 0.33
KCNH2 Q12809 1/20 0.31
NSD2 O96028 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29654280 0.90 KRAS (0.37) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL18128501 0.90 KRAS (0.37) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL25382988 0.89 KRAS (0.36) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL25384534 0.88 KRAS (0.37) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL18164041 0.86 KCNH2 (0.47) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL25384523 0.86 KRAS (0.36) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL25382788 0.84 KRAS (0.35) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL25383422 0.83 KRAS (0.35) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL18128480 0.81 KRAS (0.34) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL25386264 0.81 KRAS (0.35) KRASCYP3A4CYP2D6CYP3A5CYP3A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283462-B1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2020-12-02 EP disclosed
US-10428064-B2 Fused-tricyclic inhibitors of KRAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-10-01 US disclosed
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-03-29 US disclosed
EP-3283462-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF Araxes Pharma LLC (US) 2018-02-21 EP disclosed
WO-2016168540-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-20 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 (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-10428064-B2 Fused-tricyclic inhibitors of KRAS and methods of use thereof KRAS, NRAS, HRAS KRAS 1/4885CYP3A4 1884/4885CYP2D6 1485/4885
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885CYP3A4 1884/4885CYP2D6 1485/4885

“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.