SCHEMBL23645175

SCHEMBL23645175

COc1ccccc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)nn1C1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.45
BTK Q06187 4/20 0.45
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
POLQ O75417 1/20 0.38
SLC6A9 P48067 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
HCN1 O60741 1/20 0.37
KLKB1 P03952 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
SCHEMBL23623276 0.94 EGFR (0.43) EGFRBTKKCNK3KCNK9ROCK2
SCHEMBL23645143 0.94 EGFR (0.43) EGFRBTKKCNK3KCNK9ROCK2
SCHEMBL23623496 0.93 EGFR (0.43) EGFRBTKKCNK3KCNK9TDP1
SCHEMBL23644237 0.93 EGFR (0.43) EGFRBTKKCNK3KCNK9ROCK2
SCHEMBL23623271 0.93 EGFR (0.44) EGFRBTKKCNK3KCNK9POLQ
SCHEMBL23644241 0.93 EGFR (0.42) EGFRBTKKCNK3KCNK9ROCK2
SCHEMBL23623343 0.93 EGFR (0.42) EGFRBTKKCNK3KCNK9NPC1
SCHEMBL23645130 0.93 EGFR (0.42) EGFRBTKKCNK3KCNK9ROCK2
SCHEMBL23644246 0.93 EGFR (0.42) EGFRBTKKCNK3KCNK9CNR2
SCHEMBL23623281 0.91 EGFR (0.43) EGFRBTKNPC1RAB9APOLQ

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 4 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
US-9553272-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-01-24 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 2701/4885KCNK3 2414/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 EGFR 2809/4885BTK 2701/4885KCNK3 2414/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 EGFR 2809/4885BTK 2701/4885KCNK3 2414/4885

“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.