SCHEMBL23623809

SCHEMBL23623809

O=C(NCc1cc(-c2cccc3cn[nH]c23)[nH]n1)c1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
KCNK3 O14649 3/20 0.40
KCNK9 Q9NPC2 3/20 0.40
TRPA1 O75762 1/20 0.39
NAMPT P43490 1/20 0.39
RORC P51449 2/20 0.39
BRAF P15056 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
F2R P25116 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
OPRM1 P35372 1/20 0.38
HDAC3 O15379 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
HCN1 O60741 1/20 0.37
KIT P10721 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.37
PRMT5 O14744 1/20 0.37
METTL3 Q86U44 1/20 0.37

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
SCHEMBL23623344 0.84 OPRM1 (0.42) KCNK3KCNK9RORCRXFP1F2R
SCHEMBL23623292 0.83 KCNK3 (0.41) KCNK3KCNK9RORCBRAFRXFP1
SCHEMBL26601319 0.83 OPRM1 (0.41) KCNK3KCNK9RORCRXFP1F2R
SCHEMBL23623811 0.83 KCNK3 (0.50) KCNK3KCNK9F2RROCK2ROCK1
SCHEMBL23623255 0.81 KCNK3 (0.49) KCNK3KCNK9F2RROCK2ROCK1
SCHEMBL31461705 0.81 RXFP1 (0.42) KCNK3KCNK9NAMPTRORCRXFP1
SCHEMBL26601342 0.81 AKR1B1 (0.46) KCNK3KCNK9RORCOPRM1HCN1
SCHEMBL23623349 0.80 HSD17B13 (0.41) KCNK3KCNK9RORCRXFP1F2R
SCHEMBL23623488 0.80 HCN1 (0.41) KCNK3KCNK9RORCRXFP1F2R
SCHEMBL23623810 0.80 HCN1 (0.41) KCNK3KCNK9RORCRXFP1F2R

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 PTGES 843/4885KCNK3 2414/4885KCNK9 2438/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 PTGES 843/4885KCNK3 2414/4885KCNK9 2438/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 PTGES 843/4885KCNK3 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.