SCHEMBL18153434

SCHEMBL18153434

COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c(N)nc2c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.41
NSD2 O96028 1/20 0.38
SUV39H2 Q9H5I1 4/20 0.38
ALK Q9UM73 3/20 0.37
CFD P00746 3/20 0.37
CXCR2 P25025 1/20 0.37
KCNH2 Q12809 1/20 0.37
TLR9 Q9NR96 1/20 0.36
EGFR P00533 1/20 0.36
HMOX2 P30519 1/20 0.36
CRYZ Q08257 1/20 0.36
VAT1 Q99536 1/20 0.36
RTN4 Q9NQC3 1/20 0.36
MAP4K1 Q92918 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PGK1 P00558 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
SCHEMBL20010855 0.92 KRAS (0.42) KRASCXCR2KCNH2EGFRHMOX2
SCHEMBL18153450 0.90 KRAS (0.43) KRASCFDEGFRHMOX2CRYZ
SCHEMBL18153432 0.88 CXCR2 (0.39) KRASSUV39H2ALKCFDCXCR2
SCHEMBL18128388 0.83 KRAS (0.45) KRASSUV39H2ALKCXCR2TLR9
SCHEMBL21137320 0.83 KRAS (0.43) KRASSUV39H2ALKEGFRHMOX2
SCHEMBL31657979 0.83 KRAS (0.45) KRASSUV39H2ALKCXCR2TLR9
SCHEMBL18164041 0.82 KCNH2 (0.47) KRASNSD2SUV39H2KCNH2
SCHEMBL31658013 0.82 TLR9 (0.43) KRASSUV39H2ALKCXCR2TLR9
SCHEMBL18128438 0.82 KRAS (0.45) KRASSUV39H2ALKCXCR2TLR9
SCHEMBL18128409 0.82 TLR9 (0.43) KRASSUV39H2ALKCXCR2TLR9

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 9 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
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-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
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
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 1/4885NSD2 2862/4885SUV39H2 3604/4885
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885NSD2 2862/4885SUV39H2 3604/4885

“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.