SCHEMBL29445249

SCHEMBL29445249

C=CC(=O)N1CC(n2cc(C(F)(F)F)c3cc(-c4c(C)ccc5[nH]nc(N)c45)ccc32)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.42
▸ KRAS P01116 4/20 0.40
▸ KDR P35968 2/20 0.38
▸ ABL1 P00519 2/20 0.37
▸ BCR P11274 2/20 0.37
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ LYN P07948 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ BLK P51451 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
SCHEMBL20444998 1.00 BTK (0.42) BTKKRASKDRABL1BCR
SCHEMBL29445284 0.86 BTK (0.42) BTKKRAS
SCHEMBL24285748 0.86 BTK (0.42) BTKKRAS
SCHEMBL24285735 0.85 KRAS (0.49) KRASABL1
SCHEMBL20444872 0.82 BTK (0.44) BTKKRASKDRLCKFYN
SCHEMBL20046499 0.75 BTK (0.42) BTKKRASABL1BCR
SCHEMBL29445302 0.74 KRAS (0.51) KRASABL1
SCHEMBL20444973 0.74 KRAS (0.51) KRASABL1
SCHEMBL20444873 0.73 KRAS (0.46) BTKKRAS
SCHEMBL29445250 0.73 KRAS (0.46) BTKKRAS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer ARAXES PHARMA LLC (US) 2022-03-22 — — 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 (1 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-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer KRAS, NRAS, HRAS BTK 1384/4885KRAS 1/4885KDR 3009/4885

“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.

Send feedback