SCHEMBL5740206

SCHEMBL5740206

Cc1n[nH]c2c1nc(-c1ccccc1)c1cccc(F)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
ALPL P05186 1/20 0.36
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.36
TTK P33981 1/20 0.36
MAPK10 P53779 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CSF1R P07333 2/20 0.36
PDGFRB P09619 1/20 0.36
MAPT P10636 1/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL5739860 0.90 MAP4K1 (0.38) MAP4K1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5740290 0.86 TNKS (0.39) ALDH1A1KDM4EHPGDALPLGAA
SCHEMBL5738968 0.84 DHODH (0.44) ALDH1A1KDM4EHPGDALPLGAA
SCHEMBL4713053 0.84 ESR1 (0.39) ALDH1A1KDM4EHPGDALPLGAA
SCHEMBL5739756 0.83 LRRK2 (0.41) KDM4EALPLGAAMAPTAR
SCHEMBL4712870 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDALPLGAA
SCHEMBL5741343 0.77 PTGES (0.40) MAP4K1CYP1A2ALPLMAPK10MEN1
SCHEMBL4716460 0.77 ALDH1A1 (0.50) ALDH1A1MAPK10MEN1KMT2AMAPT
SCHEMBL5739378 0.76 MAP2K4 (0.50) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL5738245 0.76 DHODH (0.44) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1

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 MAP4K1 23/4885CYP1A2 1245/4885CYP3A4 2677/4885

“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.