SCHEMBL20132905

SCHEMBL20132905

C=CC(=O)N1CC(N2Cc3ccc(-c4cccc5[nH]ncc45)cc3C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KRAS P01116 9/20 0.43
CREBBP Q92793 1/20 0.43
BTK Q06187 1/20 0.41
ABL1 P00519 1/20 0.40
OTUD7B Q6GQQ9 2/20 0.39
USP30 Q70CQ3 2/20 0.39
ERBB2 P04626 1/20 0.38
TEC P42680 1/20 0.38
TXK P42681 1/20 0.38
BLK P51451 1/20 0.38
BMX P51813 1/20 0.38
JAK3 P52333 1/20 0.38
ITK Q08881 1/20 0.38
ERBB4 Q15303 1/20 0.38
MAP4K1 Q92918 1/20 0.38
FASN P49327 1/20 0.37

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
SCHEMBL20046106 0.87 CREBBP (0.36) KRASCREBBPBTKABL1OTUD7B
SCHEMBL20046110 0.86 CREBBP (0.43) KRASCREBBPBTKJAK3
SCHEMBL20045457 0.85 KRAS (0.56) KRASCREBBP
SCHEMBL20132849 0.83 ACHE (0.42) KRASBTK
SCHEMBL20046112 0.82 ABL1 (0.40) KRASBTKABL1JAK3
SCHEMBL20045414 0.81 JAK3 (0.45) BTKJAK3FASN
SCHEMBL20046493 0.79 SOS1 (0.41) KRASBTKTECBLKBMX
SCHEMBL20046512 0.79 KDM5A (0.35) KRASBTKITK
SCHEMBL20132843 0.78 BTK (0.40) BTKTEC
SCHEMBL20045465 0.77 KRAS (0.58) KRASCREBBP

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