SCHEMBL23616059

SCHEMBL23616059

BC(B)(Br)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.40
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CHRM3 P20309 1/20 0.32
TRPA1 O75762 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDE2A O00408 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL23616081 0.78 KCNN4 (0.43) KCNN4CES2CES1CHRM3TRPA1
SCHEMBL2147584 0.74 PDE2A (0.50) KCNN4CES2TRPA1PDE2A
SCHEMBL29827588 0.74 PDE2A (0.50) KCNN4CES2TRPA1PDE2A
SCHEMBL23219438 0.73 RIPK1 (0.36) KCNN4CHRM3TRPA1HDAC3HDAC1
Lithium SCHEMBL2459422 0.72 PDE2A (0.48) KCNN4CES2TRPA1PDE2A
SCHEMBL4473460 0.72 KCNN4 (0.41) KCNN4CES2CES1CHRM3TRPA1
SCHEMBL2459420 0.72 PDE2A (0.48) KCNN4CES2TRPA1PDE2A
SCHEMBL9576388 0.72 TSHR (0.48) KCNN4CES2CES1CHRM3TRPA1
SCHEMBL3950869 0.72 ESR1 (0.44) KCNN4CES2CES1CHRM3HDAC3
SCHEMBL828570 0.72 ALDH1A1 (0.46) KCNN4CES2CES1CHRM3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845538-B1 DIHYDROIMIDAZOPYRAZINONE COMPOUND, COMPOSITION INCLUDING SAME, AND USE THEREOF SHENZHEN TARGETRX INC (CN) 2023-11-08 EP disclosed
US-20210386737-A1 DIHYDROIMIDAZOPYRAZINONE COMPOUND, COMPOSITION INCLUDING SAME, AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2021-12-16 US disclosed
EP-3845538-A1 DIHYDROIMIDAZOPYRAZINONE COMPOUND, COMPOSITION INCLUDING SAME, AND USE THEREOF Shenzhen TargetRx, Inc. (CN) 2021-07-07 EP 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 (1 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-20210386737-A1 DIHYDROIMIDAZOPYRAZINONE COMPOUND, COMPOSITION INCLUDING SAME, AND USE THEREOF BRAF, NRAS, RAF1 KCNN4 3461/4885CES2 4761/4885CES1 3486/4885

“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.