SCHEMBL396898

SCHEMBL396898

CCn1nccc1NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.49
MAPK13 O15264 4/20 0.47
MAPK12 P53778 4/20 0.47
MAPK11 Q15759 4/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
UCHL1 P09936 1/20 0.40
PIK3CA P42336 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NTSR1 P30989 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL379866 0.86 MAPK14 (0.46) MAPK14NPC1RAB9AUCHL1ALDH1A1
SCHEMBL4215044 0.85 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2214140 0.77 MAPK14 (0.43) MAPK14POLBALDH1A1HPGDKMT2A
SCHEMBL4214906 0.76 KMT2A (0.38) NPC1RAB9AUCHL1MAPK1MEN1
SCHEMBL4786480 0.75 HDAC6 (0.39) MAPK14SMN1; SMN2TSHRMEN1HPGD
SCHEMBL2717824 0.75 L3MBTL1 (0.45) MAPK14POLBALDH1A1SMN1; SMN2TP53
SCHEMBL21911828 0.75 NPC1 (0.50) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL16566639 0.75 THRB (0.51) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL1516857 0.74 GAA (0.50) SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL1710487 0.74 HDAC1 (0.39) NPC1RAB9AALDH1A1TP53MEN1

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 7 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
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

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 MAPK14 293/4885MAPK13 351/4885MAPK12 142/4885

“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.