SCHEMBL23623630

SCHEMBL23623630

COc1ccccc1-c1nc(CNC(=O)c2ccccc2N2CCC(F)(F)CC2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.43
DRD4 P21917 4/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
DRD3 P35462 6/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
P2RX7 Q99572 4/20 0.39
RAB9A P51151 1/20 0.38
HTR7 P34969 1/20 0.38
POLB P06746 1/20 0.38
HCN1 O60741 1/20 0.38
HCN4 Q9Y3Q4 1/20 0.38

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
SCHEMBL23623632 0.89 DRD2 (0.46) DRD2DRD4ALOX15HSD17B10LMNA
SCHEMBL29930610 0.81 HPGD (0.41) ALDH1A1
SCHEMBL23611763 0.81 HPGD (0.41) ALDH1A1
SCHEMBL23623833 0.81 HDAC3 (0.43) DRD2LMNADRD3
SCHEMBL23623629 0.79 DRD2 (0.41) DRD2DRD4HSD17B10LMNAMAPT
SCHEMBL23623280 0.78 ALOX15 (0.47) ALOX15HSD17B10MAPTALDH1A1GAA
SCHEMBL29930729 0.78 ALOX15 (0.47) ALOX15HSD17B10MAPTALDH1A1GAA
SCHEMBL23611755 0.78 ALOX15 (0.47) ALOX15HSD17B10MAPTALDH1A1GAA
SCHEMBL23623258 0.77 ADORA2A (0.47) ALOX15HSD17B10MAPTALDH1A1GAA
SCHEMBL23623806 0.77 HDAC3 (0.49) DRD2LMNADRD3POLB

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 DRD2 4728/4885DRD4 4828/4885ALOX15 3002/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 DRD2 4728/4885DRD4 4828/4885ALOX15 3002/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 DRD2 4728/4885DRD4 4828/4885ALOX15 3002/4885

“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.