SCHEMBL5740290

SCHEMBL5740290

Cc1n[nH]c2c1nc(-c1ccccc1)c1cccc(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
MAPK10 P53779 2/20 0.39
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
ALPL P05186 1/20 0.38
IDO1 P14902 1/20 0.38
TTK P33981 1/20 0.38
CHEK1 O14757 2/20 0.38
CSF1R P07333 2/20 0.38
MEN1 O00255 1/20 0.38
PDGFRB P09619 1/20 0.38
MAPT P10636 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL5740206 0.86 MAP4K1 (0.38) MAPK10MAPK8ALDH1A1KDM4EGAA
SCHEMBL5738968 0.86 DHODH (0.44) MAPK10MAPK8ALDH1A1KDM4EGAA
SCHEMBL4712870 0.84 ALDH1A1 (0.45) MAPK10MAPK8ALDH1A1KDM4EGAA
SCHEMBL4713053 0.83 ESR1 (0.39) PARP1MAPK10MAPK8ALDH1A1KDM4E
SCHEMBL5739772 0.82 LRRK2 (0.43) ALDH1A1KDM4EGAAALPLMAPT
SCHEMBL5739860 0.78 MAP4K1 (0.38) MAPK10MAPK8ALDH1A1KDM4EGAA
SCHEMBL5738245 0.78 DHODH (0.44) PARP1MAPK10MAPK8ALDH1A1KDM4E
SCHEMBL5739054 0.77 NUDT1 (0.38) MAPK10MAPK8ALDH1A1KDM4EGAA
SCHEMBL5739682 0.75 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL18122029 0.75 ALDH1A1 (0.55) TNKSPARP1TNKS2MAPK10MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644371-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-04-12 EP claimed
WO-2005012301-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-10 WO claimed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 US claimed
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 TNKS 693/4885PARP1 1122/4885TNKS2 616/4885

“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.