SCHEMBL23623646

SCHEMBL23623646

Cc1n[nH]c(C)c1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 1/20 0.41
KCNK3 O14649 4/20 0.41
KCNK9 Q9NPC2 4/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
KDM5A P29375 1/20 0.41
F2R P25116 1/20 0.40
OPRM1 P35372 1/20 0.40
CLK1 P49759 1/20 0.39
KIT P10721 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
EPHX2 P34913 1/20 0.38
RORC P51449 1/20 0.38
CNR2 P34972 2/20 0.38
CSNK2A2 P19784 1/20 0.37
KDR P35968 1/20 0.37
PLK1 P53350 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
MAPK8 P45983 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 0.86 KCNK3 (0.44) HCN1KCNK3KCNK9BRD4CREBBP
SCHEMBL23623811 0.82 KCNK3 (0.50) HCN1KCNK3KCNK9F2RCLK1
SCHEMBL23623488 0.82 HCN1 (0.41) HCN1KCNK3KCNK9BRD4CREBBP
SCHEMBL23623645 0.82 HCN1 (0.43) HCN1KCNK3KCNK9BRD4CREBBP
SCHEMBL23611736 0.82 S1PR1 (0.41) HCN1KCNK3KCNK9BRD4CREBBP
SCHEMBL23623344 0.81 OPRM1 (0.42) HCN1KCNK3KCNK9BRD4CREBBP
SCHEMBL23623491 0.81 OPRM1 (0.42) HCN1KCNK3KCNK9BRD4CREBBP
SCHEMBL31461705 0.80 RXFP1 (0.42) HCN1KCNK3KCNK9BRD4CREBBP
SCHEMBL23623295 0.80 KCNK3 (0.48) HCN1KCNK3KCNK9CLK1
SCHEMBL23623288 0.80 KMT2A (0.47) HCN1KCNK3KCNK9BRD4CREBBP

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.