SCHEMBL20046512

SCHEMBL20046512

C=CC(=O)N1CC(N2Cc3ccc(-c4cccnc4O)cc3C2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
BTK Q06187 5/20 0.34
ITK Q08881 1/20 0.34
KRAS P01116 5/20 0.33
EGFR P00533 4/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
MGLL Q99685 1/20 0.33
MAP3K5 Q99683 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 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
SCHEMBL20045476 0.82 JAK3 (0.34) KDM5ABTKKRASEGFR
SCHEMBL20132849 0.81 ACHE (0.42) KDM5ABTKKRASEGFRMGLL
SCHEMBL20132843 0.81 BTK (0.40) BTKEGFR
SCHEMBL20046112 0.81 ABL1 (0.40) KDM5ABTKKRAS
SCHEMBL20045467 0.80 KDM5A (0.37) KDM5ABTKKRASMGLL
SCHEMBL20045472 0.80 USP30 (0.45) KDM5ABTKKRASMGLLMAP3K5
SCHEMBL20046111 0.80 MAP3K5 (0.36) KDM5ABTKKRASEGFRMAP3K5
SCHEMBL20045408 0.79 CRBN (0.39) KRAS
SCHEMBL20045410 0.79 CRBN (0.39) KRASMAP3K5
SCHEMBL20045486 0.79 KRAS (0.39) KRASMGLL

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 758/4885ITK 3009/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KDM5A 4040/4885BTK 559/4885ITK 2851/4885

“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.