SCHEMBL25064321

SCHEMBL25064321

N#Cc1c(N)cc(-c2ccc(S(F)(F)(F)(F)F)cc2)c2c1CCO2

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
XDH P47989 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL30364092 0.83 ALDH1A1 (0.38) ADORA1HSD17B10KDM4EALDH1A1LMNA
SCHEMBL25064157 0.83 ALDH1A1 (0.38) ADORA1HSD17B10KDM4EALDH1A1LMNA
SCHEMBL29934758 0.81 SLC5A2 (0.33) HSD17B10KDM4EALDH1A1LMNAGAA
SCHEMBL23363723 0.81 SLC5A2 (0.33) HSD17B10KDM4EALDH1A1LMNAGAA
SCHEMBL29934754 0.81 KDM4E (0.42) ADORA1HSD17B10KDM4EALDH1A1LMNA
SCHEMBL23363867 0.81 KDM4E (0.42) ADORA1HSD17B10KDM4EALDH1A1LMNA
SCHEMBL29934903 0.80 TEAD1 (0.45) ADORA2AADORA1
SCHEMBL23363833 0.80 TEAD1 (0.45) ADORA2AADORA1
SCHEMBL23383645 0.79 TEAD1 (0.39)
SCHEMBL25064015 0.78 KDM4E (0.32) KDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208919-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2024-06-27 US disclosed
US-11787775-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2023-10-17 US disclosed
US-11787775-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2023-10-17 US disclosed
US-20230054741-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-02-23 US 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-20230054741-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, NQO1, PCSK9 ADORA2A 2296/4885ADORA1 3276/4885HSD17B10 1067/4885
US-20240208919-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, NQO1, PCSK9 ADORA2A 2296/4885ADORA1 3276/4885HSD17B10 1067/4885
US-11787775-B2 Therapeutic compounds and methods of use VHL, NQO1, PCSK9 ADORA2A 2296/4885ADORA1 3276/4885HSD17B10 1067/4885

“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.