SCHEMBL30558703

SCHEMBL30558703

O=CCc1cccnc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.33
AXL P30530 1/20 0.32
CDC25B P30305 1/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL1157182 1.00 TRIM24 (0.52) TRIM24TRIM33CYP11B1CYP11B2PARP1
Bromide SCHEMBL2724195 0.98 TRIM24 (0.50) TRIM24TRIM33CYP11B1CYP11B2PARP1
SCHEMBL29164411 0.80 CYP11B1 (0.45) TRIM24TRIM33CYP11B1CYP11B2PARP1
SCHEMBL11744380 0.79 ALDH1A1 (0.38) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL31288450 0.77
SCHEMBL9383289 0.77
SCHEMBL1811013 0.76 NAPRT (0.41) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL1645573 0.76 P2RX7 (0.41) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL21054513 0.76 BACE1 (0.42) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL12481228 0.76 KDM4E (0.38) TRIM24TRIM33KDM4ECYP1A2MAPT

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-20250051360-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2025-02-13 US disclosed
CN-114075221-B Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业股份有限公司 2024-08-23 CN disclosed
CN-116332961-A Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业有限公司 2023-06-27 CN 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-20250051360-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF TYK2, JAK2, JAK1 TRIM24 1875/4885TRIM33 996/4885CYP11B1 570/4885

“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.