SCHEMBL25260883

SCHEMBL25260883

CC(=O)Nc1cc2c(Br)cn(C3CC3)c2cn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 7/20 0.54
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1F P30939 1/20 0.42
TYK2 P29597 6/20 0.41
JAK1 P23458 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CA P42336 2/20 0.38
PRKDC P78527 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
KCNH2 Q12809 1/20 0.38
DYRK1A Q13627 1/20 0.38
MTOR P42345 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
SCHEMBL30511719 1.00 MAP3K5 (0.54) MAP3K5HTR1AHTR1DHTR1FTYK2
SCHEMBL26599153 0.89 TYK2 (0.51) MAP3K5HTR1AHTR1DHTR1FTYK2
SCHEMBL31185798 0.89 TYK2 (0.51) MAP3K5HTR1AHTR1DHTR1FTYK2
SCHEMBL26599338 0.88 TYK2 (0.47) MAP3K5HTR1AHTR1DHTR1FTYK2
SCHEMBL31185868 0.88 TYK2 (0.47) MAP3K5HTR1AHTR1DHTR1FTYK2
SCHEMBL26599329 0.88 TYK2 (0.47) MAP3K5HTR1AHTR1DHTR1FTYK2
SCHEMBL31167992 0.84 MAP3K5 (0.44) MAP3K5HTR1AHTR1DHTR1FTYK2
SCHEMBL21329796 0.80 TYK2 (0.52) MAP3K5HTR1AHTR1DHTR1FTYK2
SCHEMBL25437185 0.78 TYK2 (0.40) MAP3K5HTR1AHTR1DHTR1FTYK2
SCHEMBL21330074 0.78 L3MBTL1 (0.41) MAP3K5HTR1AHTR1DHTR1FTYK2

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 6 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
WO-2024240062-A1 PYRIDINE-PYRROLO DERIVATIVE AND USE THEREOF IN DRUGS 广东东阳光药业股份有限公司 2024-11-28 WO disclosed
WO-2024193689-A1 PYRIDINOPYRROLE DERIVATIVE AND USE THEREOF IN DRUGS 广东东阳光药业股份有限公司 2024-09-26 WO disclosed
CN-117043162-A TYK2 selective inhibitors and uses thereof 迈巴制药(南京)有限公司 2023-11-10 CN disclosed
WO-2023116748-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF 广东东阳光药业有限公司 2023-06-29 WO 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 MAP3K5 79/4885HTR1A 1952/4885HTR1D 2753/4885

“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.