SCHEMBL23623326

SCHEMBL23623326

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
PDE5A O76074 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
MAPT P10636 2/20 0.38
CNR1 P21554 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
ALPG P10696 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
MMP13 P45452 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
SCHEMBL23623333 0.93 GPR6 (0.39) ROCK2ROCK1PDE5AMAPTCNR1
SCHEMBL23623264 0.89 ALOX15 (0.44) ALOX15HSD17B10ROCK2ROCK1KCNK3
SCHEMBL23623329 0.88 ALOX15 (0.41) ALOX15HSD17B10PDE5AMAPTGPR6
SCHEMBL23623280 0.88 ALOX15 (0.47) ALOX15HSD17B10ROCK2ROCK1KCNK3
SCHEMBL29930594 0.84 KCNK3 (0.45) ALOX15HSD17B10ROCK2ROCK1KCNK3
SCHEMBL23611716 0.84 KCNK3 (0.45) ALOX15HSD17B10ROCK2ROCK1KCNK3
SCHEMBL23623259 0.83 TP53 (0.40) ALOX15HSD17B10ROCK2ROCK1KCNK3
SCHEMBL23623285 0.83 ALOX15 (0.43) ALOX15HSD17B10ROCK2ROCK1PDE5A
SCHEMBL23623328 0.81 LMNA (0.38) ROCK2ROCK1PDE5AMAPTGPR6
SCHEMBL23623493 0.80 ALOX15 (0.44) ALOX15HSD17B10ROCK2ROCK1MAPT

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 828/4885ROCK2 2732/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ALOX15 3002/4885HSD17B10 828/4885ROCK2 2732/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ALOX15 3002/4885HSD17B10 828/4885ROCK2 2732/4885

“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.