SCHEMBL5740576

SCHEMBL5740576

Cc1n[nH]c2c1nc(-c1ccccc1)c1cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
CHEK2 O96017 1/20 0.50
CSF1R P07333 1/20 0.50
FER P16591 1/20 0.50
CDK2 P24941 1/20 0.50
MARK3 P27448 1/20 0.50
FLT4 P35916 1/20 0.50
FLT3 P36888 1/20 0.50
MAPK9 P45984 1/20 0.50
CSNK1D P48730 1/20 0.50
CLK2 P49760 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK1G2 P78368 1/20 0.50
MAP4K2 Q12851 1/20 0.50
STK3 Q13188 1/20 0.50
CAMK2B Q13554 1/20 0.50
CAMK2G Q13555 1/20 0.50
DYRK1A Q13627 1/20 0.50

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
SCHEMBL5739630 0.87 MAP2K4 (0.44) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL4712870 0.84 ALDH1A1 (0.45) MAP4K4CSF1RFLT3AURKBCLK4
SCHEMBL5739398 0.84 IDO1 (0.45) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL5740060 0.83 KDM4E (0.43) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL4713601 0.82 BCHE (0.47) CDK2DYRK1AAURKBALDH1A1L3MBTL1
SCHEMBL4711618 0.82 PSMB5 (0.41) ALDH1A1
SCHEMBL4711451 0.79 PDE3B (0.49) CDK2ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL5739673 0.79 KDM4E (0.45) ALDH1A1MAPTPOLBL3MBTL1TP53
SCHEMBL5739378 0.79 MAP2K4 (0.50) AURKBALDH1A1POLBKMT2AMEN1
SCHEMBL4710915 0.77 MAPK1 (0.46) DYRK1AALDH1A1MAPTTP53KMT2A

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 DCLK1 707/4885PRKD3 78/4885MAP4K4 39/4885

“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.