SCHEMBL23623328

SCHEMBL23623328

COc1ccc(F)cc1-c1nc(CNC(=O)c2cc(C#N)ccc2OC(F)F)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
NTRK1 P04629 2/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
GPR6 P46095 5/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CTSA P10619 2/20 0.35
PDE5A O76074 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 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
SCHEMBL23623329 0.93 ALOX15 (0.41) LMNATP53GPR6MAPTTHRB
SCHEMBL23611767 0.92 TP53 (0.42) LMNATP53NTRK1MAPTTHRB
SCHEMBL23623333 0.89 GPR6 (0.39) LMNATP53SCN8ASCN10AGPR6
SCHEMBL23623267 0.88 TP53 (0.42) LMNATP53NTRK1MAPTTHRB
SCHEMBL23758243 0.88 ROCK2 (0.38) LMNATP53GPR6MAPTTHRB
SCHEMBL23611738 0.86 ALOX15 (0.44) LMNATP53NTRK1MAPTTHRB
SCHEMBL23623494 0.85 NAMPT (0.41) LMNATP53NTRK1GPR6MAPT
SCHEMBL23611766 0.82 CTSA (0.38) LMNATP53NTRK1MAPTTHRB
SCHEMBL23623326 0.81 ALOX15 (0.41) GPR6MAPTPDE5AROCK2ROCK1
SCHEMBL29930983 0.81 LMNA (0.44) LMNATP53GPR6MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091590-A1 COMPOUNDS FOR USE IN TREATING GASTRIC CANCER BERG LLC (US) 2023-05-25 WO 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 LMNA 3530/4885TP53 896/4885NTRK1 4391/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 LMNA 3530/4885TP53 896/4885NTRK1 4391/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 LMNA 3530/4885TP53 896/4885NTRK1 4391/4885

“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.