SCHEMBL5738245

SCHEMBL5738245

Cc1n[nH]c2c1nc(-c1ccccc1)c1c(Cl)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
CHEK1 O14757 3/20 0.38
FLT3 P36888 2/20 0.38
PLK3 Q9H4B4 1/20 0.38
CDK5 Q00535 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
CLK1 P49759 1/20 0.37
CDK9 P50750 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALPL P05186 2/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.36
TTK P33981 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL5738968 0.90 DHODH (0.44) DHODHCHEK1FLT3PLK3CDK5
SCHEMBL5739860 0.84 MAP4K1 (0.38) DHODHCHEK1FLT3CDK5CLK4
SCHEMBL5739054 0.83 NUDT1 (0.38) DHODHCHEK1FLT3CDK5CLK4
SCHEMBL5740644 0.83 LRRK2 (0.41) CHEK1FLT3PLK3ALDH1A1KDM4E
SCHEMBL4712870 0.82 ALDH1A1 (0.45) DHODHCHEK1FLT3CDK5CLK4
SCHEMBL5738740 0.80 CHEK1 (0.41) DHODHCHEK1FLT3PLK3ALDH1A1
SCHEMBL5740290 0.78 TNKS (0.39) DHODHCHEK1FLT3CDK5CLK4
SCHEMBL4714864 0.77 CRHR1 (0.47) DHODHCHEK1FLT3PLK3HPGD
SCHEMBL5739946 0.77 CRHR1 (0.47) DHODHHPGDALDH1A1KDM4EGAA
SCHEMBL5739673 0.76 KDM4E (0.45) DHODHALDH1A1KDM4ETP53GAA

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 DHODH 2068/4885CHEK1 133/4885FLT3 258/4885

“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.