SCHEMBL20045456

SCHEMBL20045456

C=CC(=O)N1CCC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3C2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.39
BTK Q06187 9/20 0.38
LCK P06239 2/20 0.38
SRC P12931 1/20 0.38
EGFR P00533 8/20 0.38
FGFR2 P21802 5/20 0.37
KRAS P01116 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR4 P22455 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
SCHEMBL20045458 0.95 EGFR (0.42) BTKEGFR
SCHEMBL20045453 0.95 KRAS (0.39) KDM5ABTKLCKSRCEGFR
SCHEMBL20132862 0.93 KDM4E (0.38) BTKLCKSRCEGFRKRAS
SCHEMBL20045462 0.86 KRAS (0.38) KDM5ABTKLCKSRCEGFR
SCHEMBL20045428 0.85 KRAS (0.39) BTKLCKSRCEGFRKRAS
SCHEMBL20132849 0.82 ACHE (0.42) KDM5ABTKEGFRKRASFGFR1
SCHEMBL20132942 0.81 KRAS (0.38) BTKLCKSRCEGFRKRAS
SCHEMBL20045452 0.80 KDM4E (0.36) BTKLCKSRCEGFRKRAS
SCHEMBL20045950 0.80 KDM4E (0.36) BTKLCKSRCEGFRKRAS
SCHEMBL20046515 0.80 KRAS (0.37) BTKLCKSRCEGFRKRAS

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 KDM5A 4095/4885BTK 758/4885LCK 2643/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KDM5A 4040/4885BTK 559/4885LCK 2388/4885

“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.