SCHEMBL4713052

SCHEMBL4713052

Cc1n[nH]c2c1nc(-c1cccc(C(F)(F)F)c1)c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.48
IKBKB O14920 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PDPK1 O15530 1/20 0.41
PIM1 P11309 1/20 0.41
MAPK14 Q16539 4/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK12 P53778 1/20 0.40
NOTUM Q6P988 1/20 0.40
BTK Q06187 1/20 0.39
IDO1 P14902 1/20 0.39
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4714272 0.86 TNKS (0.41) ALDH1A1NPSR1MAPK14MAPK11MAPK13
SCHEMBL5738326 0.83 NPC1 (0.46) ALDH1A1NOTUMIDO1SMN1; SMN2CYP1A2
SCHEMBL4712870 0.81 ALDH1A1 (0.45) ALDH1A1NPSR1ADORA2AIDO1SMN1; SMN2
SCHEMBL4710873 0.81 PIK3CG (0.43) ALDH1A1LMNAMAPK14MAPK11MAPK13
SCHEMBL5739398 0.81 IDO1 (0.45) TDO2IKBKBALDH1A1LMNANPSR1
SCHEMBL4713814 0.79 ADORA2A (0.50) ALDH1A1ADORA2AADORA1MAPK14MAPK11
SCHEMBL4716460 0.77 ALDH1A1 (0.50) ALDH1A1ADORA2AMAPK14SMN1; SMN2
SCHEMBL5739682 0.76 ALDH1A1 (0.53) ALDH1A1LMNANPSR1ADORA2ASMN1; SMN2
SCHEMBL5247807 0.76 JAK3 (0.43) LMNAADORA2AADORA1IDO1
SCHEMBL4710870 0.76 TRPA1 (0.42) ALDH1A1NOTUMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644371-B1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMA INC (US) 2008-02-13 EP claimed
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
EP-1644371-B1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMA INC (US) 2008-02-13 EP disclosed
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 TDO2 3625/4885IKBKB 34/4885ALDH1A1 3249/4885

“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.