SCHEMBL379866

SCHEMBL379866

Cc1ccc(C(=O)Nc2ccnn2C)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
LCK P06239 1/20 0.46
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
NPC1 O15118 2/20 0.36
UCHL1 P09936 1/20 0.36
RAB9A P51151 1/20 0.36
CXCR2 P25025 3/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL396898 0.86 MAPK14 (0.49) MAPK14ALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL10264645 0.85 MAPK14 (0.42) MAPK14LCKHPGDSALDH1A1SMN1; SMN2
SCHEMBL2214493 0.84 MAPK14 (0.40) MAPK14LCKHPGDSKMT2AMAPK8
SCHEMBL4214906 0.83 KMT2A (0.38) KMT2ANPC1UCHL1RAB9ACXCR2
SCHEMBL4786480 0.78 HDAC6 (0.39) MAPK14SMN1; SMN2KMT2ACA1CA2
SCHEMBL16566639 0.77 THRB (0.51) SMN1; SMN2KMT2ANPC1RAB9ACXCR2
SCHEMBL21911828 0.77 NPC1 (0.50) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4035180 0.77 MAPK14 (0.56) MAPK14LCKHPGDSALDH1A1SMN1; SMN2
SCHEMBL1516857 0.77 GAA (0.50) SMN1; SMN2KMT2A
SCHEMBL1710487 0.76 HDAC1 (0.39) ALDH1A1KMT2ANPC1RAB9ACXCR2

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
EP-2086973-B1 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC (US) 2012-01-25 EP 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
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-7700593-B2 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2010-04-20 US disclosed
US-7700593-B2 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2010-04-20 US disclosed
US-7700593-B2 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2010-04-20 US disclosed
EP-2086973-A2 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF Amgen Inc., (US) 2009-08-12 EP disclosed
EP-2077998-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-07-15 EP disclosed
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2008-07-03 US disclosed
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2008-07-03 US disclosed
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2008-07-03 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
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008045393-A2 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC. (US) 2008-04-17 WO disclosed
WO-2008045393-A2 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC. (US) 2008-04-17 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 (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-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 MAPK14 293/4885LCK 442/4885HPGDS 1306/4885
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof MAPK1, MAP3K1, MAP3K7 MAPK14 39/4885LCK 87/4885HPGDS 783/4885

“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.