SCHEMBL24401254

SCHEMBL24401254

COC(=O)c1cnc2c(c1)C(F)(F)CC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PSMD14 O00487 1/20 0.37
CYP3A4 P08684 3/20 0.37
PDK2 Q15119 6/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP26A1 O43174 2/20 0.34
SPR P35270 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CRBN Q96SW2 2/20 0.34

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
SCHEMBL29746895 1.00 MAPK1 (0.40) MAPK1ATMKDM4EL3MBTL1PSMD14
SCHEMBL30505940 0.85 CRBN (0.38) PDK2CA12CA1CA2CA9
SCHEMBL29027009 0.85 CRBN (0.38) PDK2CA12CA1CA2CA9
SCHEMBL24401253 0.82 HCAR2 (0.36) L3MBTL1
SCHEMBL29746865 0.82 HCAR2 (0.36) L3MBTL1
SCHEMBL24401270 0.77 MAPK1 (0.43) MAPK1ATMKDM4EL3MBTL1PSMD14
SCHEMBL24401017 0.75 PDK2 (0.48) ATMKDM4ECYP3A4PDK2ALDH1A1
SCHEMBL24400676 0.71 PDK2 (0.47) MAPK1ATMKDM4ECYP3A4PDK2
SCHEMBL21186601 0.70 PDK2 (0.44) ATMKDM4ECYP3A4PDK2ALDH1A1
SCHEMBL5054886 0.70 KDM4E (0.45) MAPK1ATMKDM4EL3MBTL1PSMD14

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-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-05-05 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-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BRAF, NRAS, RAF1 MAPK1 899/4885ATM 1490/4885KDM4E 2984/4885

“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.