SCHEMBL20046110

SCHEMBL20046110

C=CC(=O)N1CC(N2Cc3ccc(-c4cccc5cn[nH]c45)cc3C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.43
KRAS P01116 9/20 0.40
BTK Q06187 5/20 0.39
KDM5A P29375 1/20 0.36
JAK3 P52333 2/20 0.34
NLRP3 Q96P20 1/20 0.33

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 0.86 KRAS (0.43) CREBBPKRASBTKJAK3
SCHEMBL20045455 0.85 KRAS (0.54) KRAS
SCHEMBL20132849 0.83 ACHE (0.42) KRASBTKKDM5A
SCHEMBL20046493 0.79 SOS1 (0.41) KRASBTKJAK3
SCHEMBL20046512 0.79 KDM5A (0.35) KRASBTKKDM5A
SCHEMBL20046111 0.79 MAP3K5 (0.36) KRASBTKKDM5A
SCHEMBL20046112 0.79 ABL1 (0.40) KRASBTKKDM5AJAK3
SCHEMBL20132843 0.78 BTK (0.40) BTK
SCHEMBL20132862 0.77 KDM4E (0.38) KRASBTK
SCHEMBL20045443 0.77 KDM5A (0.33) CREBBPKRASBTKKDM5A

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 CREBBP 1543/4885KRAS 1/4885BTK 758/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CREBBP 1362/4885KRAS 1/4885BTK 559/4885

“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.