SCHEMBL5249987

SCHEMBL5249987

COc1ccc(C(=O)Nc2c(C)n[nH]c2-c2ccccc2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
LMNA P02545 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 6/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MITF O75030 1/20 0.49
GAA P10253 1/20 0.49
KLF5 Q13887 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5250500 0.88 ADORA3 (0.62) RAB9ALMNANPC1MEN1KMT2A
SCHEMBL5252833 0.87 SMN1; SMN2 (0.48) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5248514 0.83 PDE4D (0.52) RAB9ALMNANPC1MEN1KMT2A
SCHEMBL4710882 0.82 SMN1; SMN2 (0.73) RAB9ALMNANPSR1NPC1MEN1
SCHEMBL5247422 0.82 SMN1; SMN2 (0.59) RAB9ALMNANPC1MEN1KMT2A
SCHEMBL5250777 0.81 RAB9A (0.55) RAB9ALMNANPSR1NPC1MEN1
SCHEMBL5249151 0.81 ADORA3 (0.47) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4712758 0.81 SMN1; SMN2 (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5252958 0.80 MEN1 (0.64) LMNAMEN1KMT2AMAPTTP53
SCHEMBL5252153 0.80 PKM (0.54) RAB9ALMNANPC1MEN1KMT2A

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-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
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
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 RAB9A 3242/4885LMNA 2200/4885NPSR1 4209/4885
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 RAB9A 2609/4885LMNA 1662/4885NPSR1 4181/4885

“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.