SCHEMBL18485263

SCHEMBL18485263

CSC1=Nc2ncccc2C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
ABL1 P00519 1/20 0.35
PLCG1 P19174 1/20 0.35
CES1 P23141 1/20 0.35
PAX8 Q06710 1/20 0.35
RIN1 Q13671 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
CDC25B P30305 4/20 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
SCHEMBL18471620 0.83 TDP2 (0.33) TDP2NSD2ABL1PLCG1CES1
SCHEMBL9694568 0.78 GAA (0.38) TDP2NSD2ABL1PLCG1CES1
SCHEMBL5093999 0.75 TDP2 (0.38) TDP2NSD2ABL1PLCG1CES1
SCHEMBL2299734 0.75 CCNA2 (0.40) TDP2NSD2ABL1PLCG1CES1
SCHEMBL11406516 0.75 CCNB2 (0.45) CES1MEN1KMT2AGAACDC25B
SCHEMBL2822167 0.71 PDCD1 (0.40) TDP2NSD2ABL1PLCG1CES1
SCHEMBL28294007 0.70 MAPT (0.34) NSD2CES1MEN1KMT2ATDP1
SCHEMBL7913644 0.69 TDP1 (0.39) TDP1CDC25BS100A4L3MBTL1
SCHEMBL2363208 0.68 CHEK1 (0.36) TDP2NSD2ABL1PLCG1CES1
SCHEMBL331804 0.66 TDP2 (0.43) TDP2NSD2ABL1PLCG1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 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 (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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B TDP2 1066/4885NSD2 1811/4885ABL1 653/4885

“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.