SCHEMBL23623488

SCHEMBL23623488

Cc1cn[nH]c1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 1/20 0.41
KCNK3 O14649 4/20 0.41
KCNK9 Q9NPC2 4/20 0.41
MAPT P10636 1/20 0.40
F2R P25116 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
OPRM1 P35372 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
KDM5A P29375 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RORC P51449 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
EPHX2 P34913 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
SCHEMBL23623487 0.85 KCNK3 (0.44) HCN1KCNK3KCNK9F2ROPRM1
SCHEMBL23611736 0.83 S1PR1 (0.41) HCN1KCNK3KCNK9F2RROCK2
SCHEMBL23623491 0.82 OPRM1 (0.42) HCN1KCNK3KCNK9F2ROPRM1
SCHEMBL23623646 0.82 HCN1 (0.41) HCN1KCNK3KCNK9F2ROPRM1
SCHEMBL23623811 0.81 KCNK3 (0.50) HCN1KCNK3KCNK9MAPTF2R
SCHEMBL23623645 0.81 HCN1 (0.43) HCN1KCNK3KCNK9F2RROCK2
SCHEMBL23645022 0.81 MAPT (0.38) HCN1KCNK3KCNK9MAPTF2R
SCHEMBL23623809 0.80 PTGES (0.41) HCN1KCNK3KCNK9F2RROCK2
SCHEMBL23623344 0.80 OPRM1 (0.42) HCN1KCNK3KCNK9F2ROPRM1
SCHEMBL31461705 0.80 RXFP1 (0.42) HCN1KCNK3KCNK9F2RROCK2

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 HCN1 4832/4885KCNK3 2414/4885KCNK9 2438/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HCN1 4832/4885KCNK3 2414/4885KCNK9 2438/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HCN1 4832/4885KCNK3 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.