SCHEMBL13278328

SCHEMBL13278328

N#CC(=Cc1ccccc1[N+](=O)[O-])C(N)=S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.57
▸ PKM P14618 1/20 0.57
▸ GPR55 Q9Y2T6 1/20 0.57
▸ MAPT P10636 9/20 0.55
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ L3MBTL1 Q9Y468 4/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HPGD P15428 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ GAA P10253 4/20 0.51
▸ POLB P06746 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPK1 P28482 2/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48

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
SCHEMBL13278326 1.00 ALDH1A1 (0.57) ALDH1A1PKMGPR55MAPTMEN1
SCHEMBL4098988 0.87 ALDH1A1 (0.62) ALDH1A1PKMGPR55MAPTMEN1
SCHEMBL13741911 0.87 ALDH1A1 (0.62) ALDH1A1PKMGPR55MAPTMEN1
SCHEMBL4098990 0.87 ALDH1A1 (0.62) ALDH1A1PKMGPR55MAPTMEN1
SCHEMBL9365082 0.82 PKM (0.67) ALDH1A1PKMGPR55MAPTMEN1
SCHEMBL9365089 0.82 PKM (0.67) ALDH1A1PKMGPR55MAPTMEN1
SCHEMBL13090694 0.79 PKM (0.62) ALDH1A1PKMGPR55MAPTMEN1
SCHEMBL8541606 0.79 EGFR (0.65) ALDH1A1PKMGPR55MAPTMEN1
SCHEMBL21457335 0.78 MAPT (0.70) ALDH1A1PKMGPR55MAPTMEN1
SCHEMBL5255426 0.78 MAPT (0.70) ALDH1A1PKMGPR55MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085575-B2 Tri- and tetracyclic pyrazolo[3,4-B]pyridine compounds as antineoplastic agent PIERRE FABRE MEDICAMENT (FR) 2015-07-21 — — US disclosed
EP-2697222-A1 TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT Pierre Fabre Medicament (FR) 2014-02-19 — — EP disclosed
US-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2014-01-30 — — US disclosed
WO-2012140114-A1 TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2012-10-18 — — WO 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-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT TPMT, TYMP, PAICS ALDH1A1 1022/4885PKM 759/4885GPR55 2142/4885

“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.

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