SCHEMBL23623581

SCHEMBL23623581

COc1ccncc1-c1nc(CNC(=O)c2ccccc2OC(F)(F)F)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
HSD17B13 Q7Z5P4 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK1 P49759 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL23623285 0.93 ALOX15 (0.43) POLBKCNK3KCNK9HSD17B13ROCK2
SCHEMBL23623280 0.91 ALOX15 (0.47) POLBKCNK3KCNK9ROCK2ROCK1
SCHEMBL23623602 0.87 NAMPT (0.40) POLBHSD17B13ROCK2ROCK1TP53
SCHEMBL29930594 0.86 KCNK3 (0.45) POLBKCNK3KCNK9ROCK2ROCK1
SCHEMBL23611716 0.86 KCNK3 (0.45) POLBKCNK3KCNK9ROCK2ROCK1
SCHEMBL29930892 0.84 KCNK3 (0.44) POLBKCNK3KCNK9ROCK2ROCK1
SCHEMBL23611712 0.84 KCNK3 (0.44) POLBKCNK3KCNK9ROCK2ROCK1
SCHEMBL23623493 0.83 ALOX15 (0.44) POLBROCK2ROCK1HPGDADORA2A
SCHEMBL23623839 0.83 POLB (0.47) POLBKCNK3KCNK9HSD17B13ROCK2
SCHEMBL23623264 0.83 ALOX15 (0.44) KCNK3KCNK9ROCK2ROCK1TP53

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
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 POLB 1809/4885KCNK3 2414/4885KCNK9 2438/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 POLB 1809/4885KCNK3 2414/4885KCNK9 2438/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 POLB 1809/4885KCNK3 2414/4885KCNK9 2438/4885

“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.