SCHEMBL4713629

SCHEMBL4713629

O=C(O)c1n[nH]c2c1nc(-c1ccccc1)c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAP2K4 P45985 2/20 0.42
DHODH Q02127 4/20 0.42
ALDH1A1 P00352 4/20 0.41
PDE10A Q9Y233 2/20 0.40
HPGD P15428 2/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.40
TTK P33981 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK1 P28482 2/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL5739924 0.85 SMN1; SMN2 (0.53) KDM4ELMNAATMNPSR1DHODH
SCHEMBL4717637 0.81 ALDH1A1 (0.53) KDM4EATMNPSR1MAP2K4ALDH1A1
SCHEMBL5246521 0.79 ATM (0.42) KDM4ELMNAATMNPSR1MAP2K4
SCHEMBL4712870 0.77 ALDH1A1 (0.45) KDM4EATMNPSR1DHODHALDH1A1
SCHEMBL5253599 0.77 ALDH1A1 (0.41) KDM4ELMNAATMNPSR1DHODH
SCHEMBL5252150 0.75 MAPK1 (0.41) KDM4ELMNAATMNPSR1DHODH
SCHEMBL5739195 0.73 ALDH1A1 (0.41) KDM4EATMNPSR1ALDH1A1HPGD
SCHEMBL4710883 0.73 ALDH1A1 (0.41) KDM4EATMNPSR1MAP2K4ALDH1A1
SCHEMBL10389582 0.71 DHODH (0.54) KDM4ELMNADHODHALDH1A1PDE10A
SCHEMBL3186470 0.69 CSNK2A2 (0.49) KDM4ELMNAALDH1A1HPGDMEN1

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 12 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
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 KDM4E 2732/4885LMNA 2200/4885ATM 263/4885
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 KDM4E 3336/4885LMNA 1662/4885ATM 180/4885

“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.