SCHEMBL5740681

SCHEMBL5740681

Cc1nn(Cc2ccccc2)c(-c2ccccc2)c1N=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
POLB P06746 3/20 0.51
NR1H3 Q13133 4/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP19A1 P11511 1/20 0.46
NR1H2 P55055 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 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
SCHEMBL13860389 0.85 CA1 (0.48) GAAPOLBNR1H3ALDH1A1KDM4E
SCHEMBL11082853 0.83 KDM4E (0.59) GAAPOLBLMNAALDH1A1KDM4E
SCHEMBL7108739 0.81 POLB (0.60) GAAPOLBLMNAKDM4EMEN1
SCHEMBL23401382 0.78 GAA (0.56) GAAPOLBNR1H3LMNAALDH1A1
SCHEMBL5739917 0.77 KDM4E (0.69) GAAPOLBNR1H3LMNAALDH1A1
SCHEMBL19231119 0.76 GAA (0.54) GAAPOLBNR1H3LMNAALDH1A1
SCHEMBL19209438 0.75 GAA (0.52) GAAPOLBNR1H3LMNAALDH1A1
SCHEMBL6068438 0.74 POLB (0.59) GAAPOLBNR1H3LMNAALDH1A1
SCHEMBL19209447 0.71 MAPK1 (0.71) GAAPOLBLMNAALDH1A1KDM4E
SCHEMBL16855656 0.71 PTGDR2 (0.49) GAAPOLBALDH1A1KDM4ESMN1; SMN2

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-7132428-B2 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2006-11-07 US disclosed
EP-1644371-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-04-12 EP disclosed
WO-2005012301-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-10 WO disclosed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 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-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 GAA 1156/4885POLB 793/4885NR1H3 563/4885

“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.