SCHEMBL23644237

SCHEMBL23644237

COc1ccc(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)nn2C2CCCCO2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.43
BTK Q06187 3/20 0.43
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
CLK1 P49759 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KMT2A Q03164 3/20 0.38
EPHX2 P34913 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE4B Q07343 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
SCHEMBL23623496 0.94 EGFR (0.43) EGFRBTKALDH1A1GAAHPGD
SCHEMBL23645175 0.93 EGFR (0.45) EGFRBTKROCK2ROCK1KCNK3
SCHEMBL23644241 0.89 EGFR (0.42) EGFRBTKROCK2ROCK1KMT2A
SCHEMBL23623276 0.89 EGFR (0.43) EGFRBTKALDH1A1ROCK2ROCK1
SCHEMBL23645143 0.89 EGFR (0.43) EGFRBTKHTTROCK2ROCK1
SCHEMBL23623271 0.88 EGFR (0.44) EGFRBTKHPGDKMT2AKCNK3
SCHEMBL23623343 0.88 EGFR (0.42) EGFRBTKROCK2ROCK1EPHX2
SCHEMBL23645130 0.88 EGFR (0.42) EGFRBTKROCK2ROCK1KMT2A
SCHEMBL23644246 0.88 EGFR (0.42) EGFRBTKALDH1A1HPGDKCNK3
SCHEMBL23623281 0.86 EGFR (0.43) EGFRBTKEPHX2

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-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 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 (3 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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 EGFR 2809/4885BTK 2701/4885ALDH1A1 1803/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 EGFR 2809/4885BTK 2701/4885ALDH1A1 1803/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 EGFR 2809/4885BTK 2701/4885ALDH1A1 1803/4885

“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.