SCHEMBL20132908

SCHEMBL20132908

C=CC(=O)N1CC(N2Cc3ccc(-c4nc(N)nc5ccccc45)cc3C2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 2/20 0.38
ADORA2A P29274 5/20 0.37
NUDT1 P36639 2/20 0.37
BTK Q06187 4/20 0.37
EGFR P00533 7/20 0.36
FGFR2 P21802 5/20 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
SCHEMBL20045492 0.90 BTK (0.37) BTKEGFRFGFR2
SCHEMBL20045491 0.84 BTK (0.35) BTKEGFR
SCHEMBL20045475 0.81 MAPK1 (0.41) EGFRFGFR2
SCHEMBL20132849 0.81 ACHE (0.42) BTKEGFR
SCHEMBL20046161 0.79 KRAS (0.41) EGFR
SCHEMBL20132862 0.78 KDM4E (0.38) BTKEGFR
SCHEMBL20046128 0.78 KRAS (0.38) BTK
SCHEMBL20132843 0.77 BTK (0.40) BTKEGFR
SCHEMBL20045414 0.76 JAK3 (0.45) BTK
SCHEMBL20046111 0.76 MAP3K5 (0.36) BTKEGFR

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 2 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

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 HSP90AA1 3840/4885HSP90AB1 3301/4885ADORA2A 3029/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS HSP90AA1 3940/4885HSP90AB1 3357/4885ADORA2A 3476/4885

“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.