SCHEMBL23623329

SCHEMBL23623329

COc1ccccc1-c1nc(CNC(=O)c2cc(C#N)ccc2OC(F)F)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.39
PDE5A O76074 1/20 0.39
CTSA P10619 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR6 P46095 1/20 0.36
ALPL P05186 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL23623328 0.93 LMNA (0.38) MAPTPDE5ACTSALMNATP53
SCHEMBL23758243 0.90 ROCK2 (0.38) MAPTPDE5ACTSALMNATP53
SCHEMBL23611738 0.89 ALOX15 (0.44) ALOX15HSD17B10MAPTLMNATP53
SCHEMBL23623326 0.88 ALOX15 (0.41) ALOX15HSD17B10MAPTPDE5AGPR6
SCHEMBL29930729 0.88 ALOX15 (0.47) ALOX15HSD17B10MAPTTP53NPC1
SCHEMBL23611755 0.88 ALOX15 (0.47) ALOX15HSD17B10MAPTTP53NPC1
SCHEMBL23623267 0.84 TP53 (0.42) ALOX15HSD17B10MAPTLMNATP53
SCHEMBL23611767 0.83 TP53 (0.42) ALOX15HSD17B10MAPTCTSALMNA
SCHEMBL23611711 0.83 ADORA3 (0.41) ALOX15HSD17B10MAPTLMNATP53
SCHEMBL23623309 0.83 ALOX15 (0.43) ALOX15HSD17B10MAPTPDE5ALMNA

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 ALOX15 3002/4885HSD17B10 828/4885MAPT 1520/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ALOX15 3002/4885HSD17B10 828/4885MAPT 1520/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ALOX15 3002/4885HSD17B10 828/4885MAPT 1520/4885

“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.