SCHEMBL24374804

SCHEMBL24374804

Cn1cc(Br)cc(NC(=O)c2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GPR35 Q9HC97 2/20 0.49
CNR2 P34972 1/20 0.49
MAPT P10636 3/20 0.49
BRPF1 P55201 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HDAC2 Q92769 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.45
GRIK1 P39086 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL20366368 0.82 MAP2K1 (0.39) HIF1ANPSR1RXFP1GPR35MAPT
SCHEMBL21227687 0.79 ALDH1A1 (0.41) RXFP1MAPTBRPF1HDAC1HDAC6
SCHEMBL21227681 0.75 GAA (0.43) GPR35MAPTPOLBHPGDKMT2A
SCHEMBL13139737 0.74 ALDH1A1 (0.43) NPSR1MAPTPOLBHPGDKMT2A
SCHEMBL16342388 0.72 BRD4 (0.46) NPSR1BRPF1HPGDKMT2AMEN1
SCHEMBL16936176 0.72 HDAC1 (0.71) HIF1ANPSR1RXFP1GPR35MAPT
SCHEMBL336750 0.72 MAPT (0.68) HIF1ANPSR1RXFP1GPR35MAPT
SCHEMBL28816946 0.72 MAPT (0.68) HIF1ANPSR1RXFP1GPR35MAPT
SCHEMBL16651308 0.71 BRD4 (0.36)
SCHEMBL28602208 0.71 HDAC1 (0.56) GPR35MAPTHDAC1HDAC8HDAC6

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
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2023-02-09 US disclosed
US-11478474-B2 2-(3′-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4′-bipyridin]-2′-yl)-7,7-dimethyl-7,8-dihydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one as a BTK inhibitor HUTCHISON MEDIPHARMA LIMITED (CN) 2022-10-25 US disclosed
US-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-04-28 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-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A4, CYP4B1, CYP3A5 HIF1A 4065/4885NPSR1 518/4885RXFP1 4663/4885
US-11478474-B2 2-(3′-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4′-bipyridin]-2′-yl)-7,7-dimethyl-7,8-dihydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one as a BTK inhibitor BTK, SYK, LCK HIF1A 3505/4885NPSR1 4182/4885RXFP1 4189/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 HIF1A 2403/4885NPSR1 468/4885RXFP1 4399/4885

“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.