SCHEMBL29673248

SCHEMBL29673248

CC(C)Nc1ccc(Br)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
EGFR P00533 1/20 0.36
IDO1 P14902 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL9102892 1.00 AAK1 (0.43) AAK1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL29539178 0.84 HDAC1 (0.42) AAK1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL8200994 0.84 HDAC1 (0.42) AAK1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL16722382 0.80 AAK1 (0.42) AAK1MAPK1HDAC3HDAC1EGFR
SCHEMBL16722381 0.80 AAK1 (0.42) AAK1MAPK1HDAC3HDAC1EGFR
SCHEMBL10037124 0.78 SIGMAR1 (0.45) LMNAHTTSMN1; SMN2MAPK1IDO1
SCHEMBL3634659 0.78 TDP1 (0.48) SMN1; SMN2IDO1MAPTKDM4EALDH1A1
SCHEMBL956895 0.77 PRKCI (0.50) AAK1MAPK1HDAC3HDAC1EGFR
SCHEMBL4003622 0.77 AAK1 (0.41) AAK1MAPK1HDAC3HDAC1MAPK13
SCHEMBL8776014 0.76 CYP3A4 (0.47) LMNAHTTSMN1; SMN2MAPK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585360-B Methods of using the same for treating epilepsy 特维娜有限公司 2025-04-29 CN disclosed
US-20240076297-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2024-03-07 US disclosed
EP-4185297-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY Merck Sharp & Dohme LLC (US) 2023-05-31 EP disclosed
EP-4025211-A1 METHODS OF TREATING EPILEPSY USING THE SAME Trevena, Inc. (US) 2022-07-13 EP disclosed
CN-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 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-20240076297-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 AAK1 1132/4885LMNA 4295/4885HTT 4210/4885

“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.