SCHEMBL23644241

SCHEMBL23644241

COc1cnccc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)nn1C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
BTK Q06187 4/20 0.42
ROCK2 O75116 3/20 0.40
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP2J2 P51589 1/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
POLQ O75417 1/20 0.37
ROCK1 Q13464 1/20 0.37
TP53 P04637 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL23645130 0.94 EGFR (0.42) EGFRBTKROCK2POLBCYP2C9
SCHEMBL23645175 0.93 EGFR (0.45) EGFRBTKROCK2KCNK3KCNK9
SCHEMBL23644237 0.89 EGFR (0.43) EGFRBTKROCK2EPHX2KCNK3
SCHEMBL23645143 0.88 EGFR (0.43) EGFRBTKROCK2KCNK3KCNK9
SCHEMBL23623276 0.88 EGFR (0.43) EGFRBTKROCK2KCNK3KCNK9
SCHEMBL23623271 0.88 EGFR (0.44) EGFRBTKKCNK3KCNK9POLQ
SCHEMBL23623496 0.88 EGFR (0.43) EGFRBTKEPHX2KCNK3KCNK9
SCHEMBL23623343 0.87 EGFR (0.42) EGFRBTKROCK2EPHX2KCNK3
SCHEMBL23644246 0.87 EGFR (0.42) EGFRBTKKCNK3KCNK9TP53
SCHEMBL23645578 0.87 EGFR (0.42) EGFRBTKCYP2C9EPHX2CYP2J2

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-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 (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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 EGFR 2809/4885BTK 2701/4885ROCK2 2732/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 EGFR 2809/4885BTK 2701/4885ROCK2 2732/4885

“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.