SCHEMBL5739739

SCHEMBL5739739

Cc1n[nH]c2c1nc(-c1ccccn1)c1c(N(C)C)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
KDM4E B2RXH2 7/20 0.36
NPC1 O15118 4/20 0.36
PIM1 P11309 2/20 0.34
CBFB Q13951 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TGFBR1 P36897 3/20 0.33
MAPK14 Q16539 2/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
NSD2 O96028 1/20 0.33
TSHR P16473 1/20 0.33
MITF O75030 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
RAB9A P51151 3/20 0.33

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
SCHEMBL5738772 0.85 LRRK2 (0.41) LRRK2KDM4ENPC1PIM1CBFB
SCHEMBL5740644 0.85 LRRK2 (0.41) LRRK2KDM4ENPC1PIM1CBFB
SCHEMBL5739054 0.83 NUDT1 (0.38) KDM4EADORA2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL5249664 0.82 LRRK2 (0.48) LRRK2KDM4ENPC1PIM1CBFB
SCHEMBL5739772 0.80 LRRK2 (0.43) LRRK2KDM4ENPC1PIM1CBFB
SCHEMBL5739471 0.78 KDM4E (0.38) LRRK2KDM4ENPC1PIM1CBFB
SCHEMBL4710475 0.78 KDM4E (0.38) LRRK2KDM4ENPC1PIM1CBFB
SCHEMBL5739756 0.78 LRRK2 (0.41) LRRK2KDM4ENPC1PIM1CBFB
SCHEMBL5740335 0.78 LRRK2 (0.41) LRRK2KDM4ENPC1PIM1CBFB
SCHEMBL4711497 0.75 LRRK2 (0.39) LRRK2KDM4ENPC1PIM1CBFB

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 8 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 claimed
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 370/4885KDM4E 3336/4885NPC1 711/4885

“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.