SCHEMBL20046112

SCHEMBL20046112

C=CC(=O)N1CC(N2Cc3ccc(-c4cccc5[nH]cnc45)cc3C2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
KRAS P01116 1/20 0.35
PRMT5 O14744 2/20 0.35
KDM5A P29375 1/20 0.35
WDR77 Q9BQA1 1/20 0.34
BRD4 O60885 1/20 0.34
JAK3 P52333 4/20 0.33
BTK Q06187 3/20 0.33
CHEK1 O14757 1/20 0.32
ATR Q13535 1/20 0.32
PDCD1 Q15116 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KLKB1 P03952 1/20 0.32

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
SCHEMBL20132905 0.82 KRAS (0.43) ABL1KRASJAK3BTK
SCHEMBL20045414 0.81 JAK3 (0.45) JAK3BTK
SCHEMBL20046512 0.81 KDM5A (0.35) KRASKDM5ABTK
SCHEMBL20046113 0.79 TDP2 (0.42) KRASBTK
SCHEMBL20132849 0.79 ACHE (0.42) KRASKDM5ABTK
SCHEMBL20046111 0.79 MAP3K5 (0.36) KRASKDM5ABTK
SCHEMBL20046110 0.79 CREBBP (0.43) KRASKDM5AJAK3BTK
SCHEMBL20132843 0.78 BTK (0.40) BTKCHEK1
SCHEMBL20045443 0.77 KDM5A (0.33) KRASKDM5ABTK
SCHEMBL20045472 0.77 USP30 (0.45) ABL1KRASKDM5ABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 US disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 US disclosed
WO-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 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-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS ABL1 139/4885KRAS 1/4885PRMT5 1548/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ABL1 135/4885KRAS 1/4885PRMT5 1506/4885

“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.