SCHEMBL23623299

SCHEMBL23623299

N#CCNC(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.52
KCNK9 Q9NPC2 4/20 0.52
HCN1 O60741 1/20 0.51
F2R P25116 1/20 0.50
OPRM1 P35372 1/20 0.49
HCRTR1 O43613 2/20 0.46
RXFP1 Q9HBX9 1/20 0.44
SLC6A9 P48067 3/20 0.44
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CLK1 P49759 1/20 0.43
PNLIP P16233 1/20 0.42
CTSD P07339 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
GAA P10253 1/20 0.41

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
Butyl Alcohol SCHEMBL28866270 0.90 F2R (0.48) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL13753068 0.84 F2R (0.56) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL13753143 0.81 HCRTR1 (0.57) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL23611756 0.80 SMN1; SMN2 (0.55) HCRTR1HPGDTP53GLAGAA
SCHEMBL5525920 0.80 CTSL (0.46) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL6273678 0.79 CTSK (0.41) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL8317341 0.79 KCNK3 (0.59) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL376957 0.79 CTSD (0.62) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL29646406 0.79 CTSD (0.62) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL2307803 0.78 KCNK3 (0.50) KCNK3KCNK9HCN1F2ROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed
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
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 WO 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 KCNK3 2414/4885KCNK9 2438/4885HCN1 4832/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 KCNK3 2414/4885KCNK9 2438/4885HCN1 4832/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 KCNK3 2414/4885KCNK9 2438/4885HCN1 4832/4885

“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.