SCHEMBL5740333

SCHEMBL5740333

Cc1n[nH]c(-c2ccc(Br)cc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
GAA P10253 2/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
IKBKB O14920 3/20 0.50
CHUK O15111 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4714215 0.81 KDM4E (0.63) GAAMAPK1TP53CYP1A2SMN1; SMN2
SCHEMBL4710473 0.79 SMN1; SMN2 (0.51) MAPTMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL13310491 0.74 IKBKB (0.59) MAPTGAAMAPK1TP53CYP1A2
SCHEMBL6155594 0.74 PIK3CD (0.42) MAPTGAAMAPK1TP53CYP1A2
SCHEMBL20247801 0.73 PIK3CD (0.56) MAPTGAATP53CYP1A2CYP2C9
SCHEMBL4711533 0.73 KDM4E (0.57) MAPTGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL930181 0.70 IKBKE (0.56) GAAIKBKBSMN1; SMN2NPC1RAB9A
SCHEMBL23091872 0.69 IKBKB (0.68) MAPTMAPK1IKBKBCHUKSMN1; SMN2
SCHEMBL8025214 0.69 PIK3CD (0.54) MAPTGAAMAPK1TP53CYP1A2
SCHEMBL26842914 0.69 SMN1; SMN2 (0.43) MAPTGAAMAPK1TP53CYP1A2

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 5 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 disclosed
CN-1802373-A Pyrazoloisoquinoline derivatives as kinase inhibitors AVENTIS PHARMA INC (US) 2006-07-12 CN 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 MAPT 2944/4885GAA 1156/4885MAPK1 71/4885

“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.