SCHEMBL23623314

SCHEMBL23623314

O=C(NCc1n[nH]c(-c2cccs2)n1)c1nccnc1N1CC(F)(F)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 6/20 0.39
FEN1 P39748 6/20 0.39
ERCC4 Q92889 6/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GRK6 P43250 1/20 0.37
DNASE1 P24855 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
PBK Q96KB5 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL29930728 0.93 ERCC1 (0.37) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23611743 0.93 ERCC1 (0.37) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623421 0.92 MYC (0.38) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623315 0.91 ERCC1 (0.38) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623340 0.87 ERCC1 (0.35) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623298 0.81 HPGD (0.40) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623266 0.77 HPGD (0.40) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623261 0.76 HPGD (0.41) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23611763 0.74 HPGD (0.41) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL29930610 0.74 HPGD (0.41) ERCC1FEN1ERCC4HPGDALDH1A1

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 ERCC1 1473/4885FEN1 3856/4885ERCC4 697/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ERCC1 1473/4885FEN1 3856/4885ERCC4 697/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ERCC1 1473/4885FEN1 3856/4885ERCC4 697/4885

“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.