SCHEMBL13025166

SCHEMBL13025166

[C-]#[N+]c1c(Cl)c2ccccc2n(Cc2ccccc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPD1 P10809 1/20 0.58
▸ HSPE1 P61604 1/20 0.58
▸ P2RX4 Q99571 1/20 0.54
▸ CYP19A1 P11511 1/20 0.51
▸ PGR P06401 1/20 0.49
▸ MAPT P10636 5/20 0.48
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ TP53 P04637 1/20 0.43

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
SCHEMBL13025165 0.86 P2RX4 (0.61) HSPD1HSPE1P2RX4MAPTMEN1
SCHEMBL2864205 0.75 PDE9A (0.63) HSPD1HSPE1P2RX4CYP19A1PGR
SCHEMBL13024502 0.75 MEN1 (0.64) HSPD1HSPE1P2RX4CYP19A1PGR
SCHEMBL14160818 0.71 P2RX4 (1.00) P2RX4CYP19A1PGRMAPTMEN1
SCHEMBL29904927 0.71 P2RX4 (1.00) P2RX4CYP19A1PGRMAPTMEN1
SCHEMBL9589955 0.71 MEN1 (0.68) HSPD1HSPE1P2RX4CYP19A1PGR
SCHEMBL13528242 0.70 MAPT (0.78) P2RX4CYP19A1PGRMAPTMEN1
SCHEMBL151053 0.70 CYP19A1 (1.00) P2RX4CYP19A1PGRMAPTMEN1
SCHEMBL30007452 0.70 CYP19A1 (1.00) P2RX4CYP19A1PGRMAPTMEN1
SCHEMBL28433238 0.70 CYP19A1 (0.58) HSPD1HSPE1P2RX4CYP19A1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 — — US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 — — 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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 HSPD1 1321/4885HSPE1 1696/4885P2RX4 718/4885

“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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