SCHEMBL4710845

SCHEMBL4710845

COc1ccc(-c2[nH]nc(C)c2[N+](=O)[O-])cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4714261 0.82 RAB9A (0.51) LMNARAB9ANPC1KDM4EALDH1A1
SCHEMBL4711533 0.77 KDM4E (0.57) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL31686443 0.74 ADORA2A (0.44) LMNARAB9ANPC1KDM4EALDH1A1
SCHEMBL10731117 0.69 ABCC8 (0.53) LMNAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL9976032 0.68 MAPT (0.62) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL27969541 0.68 PTGS2 (0.64) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1179747 0.68 TDP1 (0.62) LMNAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL29396391 0.68 TDP1 (0.62) LMNAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL5377197 0.68 MAPT (0.62) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL28075509 0.68 GRK6 (0.60) LMNARAB9ANPC1KDM4EALDH1A1

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 9 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 disclosed
EP-1519934-B1 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NF$G(K)B-INDUCING KINASE (NIK) SANOFI AVENTIS DEUTSCHLAND (DE) 2007-09-19 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
US-6841556-B2 Pyrazoloisoquinoline derivatives for inhibiting NFκB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-11 US disclosed
US-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-20 US disclosed
WO-2004005287-A9 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NFKAPPAB-INDUCING KINASE (NIK) AVENTIS PHARMA GMBH (DE) 2004-03-04 WO 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 (2 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-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase NFKBIA, IKBKB, IKBKG LMNA 2200/4885PDE4A 1210/4885PDE4B 1426/4885
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 LMNA 1662/4885PDE4A 1502/4885PDE4B 1868/4885

“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.