SCHEMBL4717637

SCHEMBL4717637

c1ccc(-c2nc3c(-c4ccccc4)n[nH]c3c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 5/20 0.52
HPGD P15428 3/20 0.52
GAA P10253 2/20 0.52
ALPL P05186 1/20 0.52
IDO1 P14902 1/20 0.52
TTK P33981 1/20 0.52
MAPK10 P53779 1/20 0.52
CSF1R P07333 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
FLT3 P36888 2/20 0.49
KMT2A Q03164 2/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
YTHDC1 Q96MU7 1/20 0.45
YTHDF2 Q9Y5A9 1/20 0.45

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
SCHEMBL4712870 0.85 ALDH1A1 (0.45) ALDH1A1NPSR1ATMKDM4EHPGD
SCHEMBL5739195 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1ATMKDM4EHPGD
SCHEMBL4710883 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1ATMKDM4EHPGD
SCHEMBL4713629 0.81 KDM4E (0.47) ALDH1A1NPSR1ATMKDM4EHPGD
SCHEMBL5253599 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1ATMKDM4EHPGD
SCHEMBL5246521 0.78 ATM (0.42) ALDH1A1NPSR1ATMKDM4EHPGD
SCHEMBL5739682 0.76 ALDH1A1 (0.53) ALDH1A1NPSR1KDM4EHPGDMAPT
SCHEMBL5739924 0.76 SMN1; SMN2 (0.53) ALDH1A1NPSR1ATMKDM4EHPGD
SCHEMBL4713600 0.74 MKNK1 (0.42) ALDH1A1NPSR1ATMHPGDGAA
SCHEMBL5252150 0.74 MAPK1 (0.41) ALDH1A1NPSR1ATMKDM4EHPGD

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9173920-B2 Methods of treating muscular wasting diseases using NF-KB activation inhibitors THERALOGICS, INC. (US) 2015-11-03 US disclosed
US-9173920-B2 Methods of treating muscular wasting diseases using NF-KB activation inhibitors THERALOGICS, INC. (US) 2015-11-03 US disclosed
US-8426355-B2 Methods of treating muscular wasting diseases using NF-κB activation inhibitors THERALOGICS, INC. (US) 2013-04-23 US disclosed
US-8426355-B2 Methods of treating muscular wasting diseases using NF-κB activation inhibitors THERALOGICS, INC. (US) 2013-04-23 US disclosed
EP-1644371-B1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMA INC (US) 2008-02-13 EP disclosed
US-20070225315-A1 Methods of Treating Muscular Wasting Diseases Using NF-kB Activation Inhibitors THERALOGICS, INC. (US) 2007-09-27 US disclosed
US-20070225315-A1 Methods of Treating Muscular Wasting Diseases Using NF-kB Activation Inhibitors THERALOGICS, INC. (US) 2007-09-27 US disclosed
WO-2007106884-A2 METHODS OF TREATING MUSCULAR WASTING DISEASES USING NF-KB ACTIVATION INHIBITORS THERALOGICS, INC. (US) 2007-09-20 WO 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 (3 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 ALDH1A1 3472/4885NPSR1 4209/4885ATM 263/4885
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 ALDH1A1 3249/4885NPSR1 4181/4885ATM 180/4885
US-20070225315-A1 Methods of Treating Muscular Wasting Diseases Using NF-kB Activation Inhibitors NFKBIA, IKBKB, NFKB2 ALDH1A1 3697/4885NPSR1 4415/4885ATM 704/4885

“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.