SCHEMBL398366

SCHEMBL398366

Cc1ccc(C#N)cc1-c1ccc2c(O)nncc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
ABL1 P00519 5/20 0.46
KIT P10721 8/20 0.39
MAPK14 Q16539 8/20 0.39
KDR P35968 7/20 0.39
MAPK9 P45984 6/20 0.39
LCK P06239 5/20 0.39
MAPK10 P53779 2/20 0.39
LRRK2 Q5S007 1/20 0.36
LYN P07948 1/20 0.36
GRM5 P41594 1/20 0.35
GRM2 Q14416 1/20 0.35
PLAU P00749 1/20 0.35
C1S P09871 1/20 0.34

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
SCHEMBL1406241 0.81 ABL1 (0.43) ABL1KITMAPK14KDRMAPK9
SCHEMBL2945585 0.79 MAPK14 (0.48) ABL1KITMAPK14KDRMAPK9
SCHEMBL394810 0.78 MAPK14 (0.56) ABL1KITMAPK14KDRMAPK9
SCHEMBL395926 0.76 MAPK14 (0.60) CYP11B1CYP11B2ABL1KITMAPK14
SCHEMBL395927 0.76 MAPK14 (0.60) CYP11B1CYP11B2ABL1KITMAPK14
SCHEMBL2952639 0.75 MAPK14 (0.52) CYP11B1CYP11B2ABL1KITMAPK14
SCHEMBL2945896 0.73 KIT (0.48) KITMAPK14KDRMAPK9LCK
SCHEMBL1406073 0.72 KIT (0.42) ABL1KITMAPK14KDRMAPK9
SCHEMBL20056706 0.72 AR (0.51) CYP11B1CYP11B2ABL1MAPK14LRRK2
SCHEMBL2944446 0.71 MAPK14 (0.75) KITMAPK14KDRMAPK9LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US disclosed
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US disclosed
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US disclosed
EP-2077998-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2011-03-09 EP disclosed
EP-2077998-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2011-03-09 EP disclosed
EP-2077998-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-07-15 EP disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030466-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-03-13 WO disclosed
WO-2008030466-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-03-13 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 (1 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-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 CYP11B1 1906/4885CYP11B2 2135/4885ABL1 720/4885

“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.