SCHEMBL574545

SCHEMBL574545

CCOC(=O)c1cnn(C(C)(C)C)c1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 4/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL26099158 0.85 ALDH1A1 (0.48) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL1406667 0.85 KMT2A (0.49) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL25339625 0.84 RAB9A (0.46) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL2672130 0.84 RAB9A (0.46) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL2671293 0.84 CYP3A4 (0.46) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL1406913 0.84 RAB9A (0.59) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL1406972 0.84 HTT (0.46) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL31352268 0.83 KDM4E (0.45) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL31352145 0.81 CYP3A4 (0.50) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL29953140 0.81 NPC1 (0.44) RAB9ANPC1KDM4ESMN1; SMN2KMT2A

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 US disclosed
WO-2012019015-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-02-09 WO disclosed
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 US disclosed
US-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases FLYNN DANIEL L 2011-05-19 US disclosed
US-7897762-B2 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2011-03-01 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
WO-2008131227-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO disclosed
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 US disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO disclosed
WO-2008033999-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-20 WO disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 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 (8 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-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases BRAF, PRKDC, RAF1 RAB9A 1244/4885NPC1 4287/4885KDM4E 2009/4885
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 RAB9A 1244/4885NPC1 4287/4885KDM4E 2009/4885
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 RAB9A 1305/4885NPC1 2218/4885KDM4E 3402/4885
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A RAB9A 1307/4885NPC1 3121/4885KDM4E 4437/4885
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP RAB9A 3199/4885NPC1 204/4885KDM4E 2088/4885
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 RAB9A 2364/4885NPC1 219/4885KDM4E 1534/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF RAB9A 751/4885NPC1 4123/4885KDM4E 1040/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 RAB9A 1244/4885NPC1 4287/4885KDM4E 2009/4885

“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.