SCHEMBL21031716

SCHEMBL21031716

Nc1c([N+](=O)[O-])ccc(N2CCCCC2)c1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.67
▸ MAPT P10636 5/20 0.67
▸ POLB P06746 4/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ GAA P10253 3/20 0.54
▸ CTSB P07858 1/20 0.54
▸ AR P10275 1/20 0.54
▸ MAPK1 P28482 5/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TNNI3 P19429 1/20 0.52
▸ TNNT2 P45379 1/20 0.52
▸ TNNC1 P63316 1/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PKM P14618 2/20 0.51

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
SCHEMBL939398 0.98 ALDH1A1 (0.68) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL2892379 0.85 MAPT (0.55) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL25796770 0.82 ALDH1A1 (0.67) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL8103840 0.81 ALDH1A1 (0.70) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL21001112 0.80 KDM4E (0.53) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL30168936 0.80 KDM4E (0.53) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL19700166 0.80 CTSB (0.55) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL8484094 0.78 ALDH1A1 (0.62) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL23360716 0.77 ALDH1A1 (0.56) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL23360737 0.75 ALDH1A1 (0.58) ALDH1A1MAPTPOLBCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 — — US disclosed
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 — — US disclosed
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 — — US disclosed
CN-111655690-B Pyrazolopyridinone compounds 詹森药业有限公司 2023-01-10 — — CN disclosed
EP-3713941-B1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-06-22 — — EP disclosed
EP-3713941-B1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-06-22 — — EP disclosed
US-20210147411-A1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-05-20 — — US disclosed
US-20210147411-A1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-05-20 — — US disclosed
WO-2019101182-A1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-05-31 — — 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 (2 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-20210147411-A1 PYRAZOLOPYRIDINONE COMPOUNDS FGFR1, FGFR3, FGFR2 ALDH1A1 1418/4885MAPT 1516/4885POLB 2610/4885
US-11691970-B2 Pyrazolopyridinone compounds FGFR1, FGFR3, FGFR2 ALDH1A1 1418/4885MAPT 1516/4885POLB 2610/4885

“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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