SCHEMBL5740644

SCHEMBL5740644

Cc1n[nH]c2c1nc(-c1ccccn1)c1c(Cl)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
PIK3CD O00329 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIM1 P11309 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CHEK1 O14757 1/20 0.35
FLT3 P36888 1/20 0.35
PLK3 Q9H4B4 1/20 0.35

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
SCHEMBL5740335 0.91 LRRK2 (0.41) LRRK2PIK3CDKDM4ENPC1JAK2
SCHEMBL5738772 0.86 LRRK2 (0.41) LRRK2KDM4ENPC1L3MBTL1ALDH1A1
SCHEMBL5739739 0.85 LRRK2 (0.40) LRRK2KDM4ENPC1L3MBTL1ALDH1A1
SCHEMBL5249664 0.83 LRRK2 (0.48) LRRK2KDM4ENPC1L3MBTL1ALDH1A1
SCHEMBL5738245 0.83 DHODH (0.44) KDM4ENPC1ALDH1A1MAPTNPSR1
SCHEMBL5739772 0.81 LRRK2 (0.43) LRRK2KDM4ENPC1L3MBTL1RXFP1
SCHEMBL5739756 0.79 LRRK2 (0.41) LRRK2PIK3CDKDM4ENPC1L3MBTL1
SCHEMBL5738765 0.79 KDM4E (0.40) LRRK2KDM4ENPC1L3MBTL1RXFP1
SCHEMBL4711497 0.76 LRRK2 (0.39) LRRK2KDM4ENPC1L3MBTL1ALDH1A1
SCHEMBL5738740 0.76 CHEK1 (0.41) JAK2L3MBTL1ALDH1A1CHEK1FLT3

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 LRRK2 370/4885PIK3CD 353/4885KDM4E 3336/4885

“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.