SCHEMBL5246374

SCHEMBL5246374

COc1cccc(-c2nc3c(C)n[nH]c3c3cc(OC)c(OC)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
ADORA2A P29274 7/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PIK3CG P48736 1/20 0.42
ADORA1 P30542 5/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
DHPS P49366 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL4711596 0.89 DCUN1D1 (0.45) TP53NR1H2NR1H3DCUN1D1ADORA2A
SCHEMBL4713814 0.88 ADORA2A (0.50) TP53NR1H2NR1H3DCUN1D1ADORA2A
SCHEMBL4711451 0.88 PDE3B (0.49) TP53GAAKDM4ESMN1; SMN2HSD17B10
SCHEMBL4714832 0.82 CHEK1 (0.46) KDM4ESMN1; SMN2HSD17B10PDGFRBPDGFRA
SCHEMBL4713601 0.81 BCHE (0.47) NR1H2NR1H3ADORA2AKDM4EHTT
SCHEMBL5246987 0.79 PDE4A (0.59) KDM4ESMN1; SMN2HSD17B10ADORA1PDGFRB
SCHEMBL5247087 0.78 KDM4E (0.40) NR1H2NR1H3DCUN1D1ADORA2AKDM4E
SCHEMBL5246387 0.76 SMN1; SMN2 (0.40) TP53GAAKDM4EHTTSMN1; SMN2
SCHEMBL5246390 0.74 HSD17B10 (0.42) GAAKDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL5250936 0.74 CRHR1 (0.54) TP53ADORA2AGAAKDM4EHTT

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-1519934-B1 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NF$G(K)B-INDUCING KINASE (NIK) SANOFI AVENTIS DEUTSCHLAND (DE) 2007-09-19 EP claimed
US-6841556-B2 Pyrazoloisoquinoline derivatives for inhibiting NFκB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-11 US claimed
US-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-20 US claimed
WO-2004005287-A9 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NFKAPPAB-INDUCING KINASE (NIK) AVENTIS PHARMA GMBH (DE) 2004-03-04 WO claimed
EP-1519934-B1 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NF$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
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 TP53 1059/4885NR1H2 197/4885NR1H3 247/4885
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 TP53 587/4885NR1H2 458/4885NR1H3 563/4885

“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.