SCHEMBL23623487

SCHEMBL23623487

Cc1cc(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)n[nH]2)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.44
KCNK9 Q9NPC2 4/20 0.44
HCN1 O60741 1/20 0.44
F2R P25116 1/20 0.43
OPRM1 P35372 1/20 0.42
HPGD P15428 2/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
KDM5A P29375 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
MAPK1 P28482 1/20 0.40
CLK1 P49759 1/20 0.40
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL23623491 0.86 OPRM1 (0.42) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL23623646 0.86 HCN1 (0.41) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL23623811 0.85 KCNK3 (0.50) KCNK3KCNK9HCN1F2RHPGD
SCHEMBL23623488 0.85 HCN1 (0.41) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL23611736 0.85 S1PR1 (0.41) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL23623645 0.85 HCN1 (0.43) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL23623344 0.84 OPRM1 (0.42) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL31461705 0.84 RXFP1 (0.42) KCNK3KCNK9HCN1F2ROPRM1
SCHEMBL23623295 0.83 KCNK3 (0.48) KCNK3KCNK9HCN1HPGDMAPK1
SCHEMBL23623288 0.83 KMT2A (0.47) KCNK3KCNK9HCN1F2ROPRM1

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

“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.