SCHEMBL28551012

SCHEMBL28551012

O=C1C2=CC=NC2=Nc2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.39
NSD2 O96028 3/20 0.39
PAX8 Q06710 3/20 0.39
ABL1 P00519 1/20 0.39
PLCG1 P19174 1/20 0.39
CES1 P23141 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PTPRC P08575 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
PTPN13 Q12923 1/20 0.36
S100A4 P26447 5/20 0.34

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
SCHEMBL29941302 0.75 MEN1 (0.39) TDP2PLCG1CES1MEN1THRB
SCHEMBL25251959 0.74 TDP2 (0.39) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL10434480 0.68 TDP2 (0.49) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL607872 0.66 TDP2 (0.37) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL28077985 0.64 S100A4 (0.45) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL8905893 0.62 IDO1 (0.33) IDO1
SCHEMBL30168823 0.62 IDO1 (0.33) IDO1
SCHEMBL1749823 0.60 GAA (0.50) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL25213079 0.58 CCNA2 (0.37) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL2299734 0.58 CCNA2 (0.40) TDP2NSD2PAX8ABL1PLCG1

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
CN-112334191-B Pharmaceutically effective compounds for selectively inhibiting myosin 2 isoforms 普林特商业服务有限公司 2024-12-10 CN claimed
CN-112334191-A Pharmaceutically effective compounds for selective inhibition of myosin 2 isoforms 普林特商业服务有限公司 2021-02-05 CN claimed
CN-112334191-B Pharmaceutically effective compounds for selectively inhibiting myosin 2 isoforms 普林特商业服务有限公司 2024-12-10 CN disclosed
US-20240270752-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS EÖTVÖS LORÁND TUDOMÁNYEGYETEM (HU) 2024-08-15 US disclosed
CN-117924285-A Pharmaceutically effective compounds for selectively inhibiting myosin 2 isoforms 普林特商业服务有限公司 2024-04-26 CN disclosed
CN-112334191-A Pharmaceutically effective compounds for selective inhibition of myosin 2 isoforms 普林特商业服务有限公司 2021-02-05 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-20240270752-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS MYH2, MYLK2, MYO1B TDP2 205/4885NSD2 3333/4885PAX8 3249/4885

“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.