SCHEMBL5741343

SCHEMBL5741343

Cc1n[nH]c2c1nc(-c1c(F)cccc1F)c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.40
JAK2 O60674 1/20 0.40
MAP4K1 Q92918 2/20 0.36
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
CYP1A2 P05177 1/20 0.33
AR P10275 1/20 0.33
ALPL P05186 1/20 0.33
ILK Q13418 1/20 0.33
MEN1 O00255 1/20 0.33
PRNP P04156 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TTR P02766 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL4711622 0.87 CYP1A2 (0.34) PTGESJAK2MAPK8MAPK9MAPK10
SCHEMBL5738617 0.86 ADORA2A (0.42) MAP4K1ADORA2A
SCHEMBL5738740 0.83 CHEK1 (0.41) PTGESJAK2MAPK8MAPK9MAPK10
SCHEMBL702457 0.83 PTGES (0.40) PTGESJAK2MAP4K1CYP1A2AR
SCHEMBL5246927 0.81 ITK (0.41) MAP4K1CYP1A2MEN1KMT2A
SCHEMBL4716460 0.80 ALDH1A1 (0.50) MAPK10MEN1KMT2AADORA2A
SCHEMBL5739860 0.80 MAP4K1 (0.38) MAP4K1MAPK8MAPK10CYP1A2ALPL
SCHEMBL4712870 0.79 ALDH1A1 (0.45) MAPK8MAPK10ALPLMEN1KMT2A
SCHEMBL5738472 0.79 ADORA1 (0.36) ARALPLADORA2A
SCHEMBL5739590 0.78 ADORA2A (0.45) MAPK8MAPK9MAPK10CYP1A2MEN1

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 PTGES 1140/4885JAK2 91/4885MAP4K1 23/4885

“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.