Sugi Predict

Sugi Predict / Compounds / SCHEMBL3814978

SCHEMBL3814978

SCHEMBL3814978

CNC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)ncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ADORA2A P29274 4/20 0.40
▸ ADORA3 P0DMS8 4/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ NTRK1 P04629 6/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL4394159 0.90 MAPT (0.51) RAB9ASMN1; SMN2MAPTNPC1PKM
SCHEMBL14566970 0.90 RAB9A (0.48) RAB9ASMN1; SMN2MAPTNPC1PKM
SCHEMBL3823247 0.89 MAPT (0.45) RAB9ASMN1; SMN2MAPTNPC1PKM
SCHEMBL3813353 0.89 MAPT (0.45) RAB9ASMN1; SMN2MAPTNPC1PKM
SCHEMBL3822244 0.88 RAB9A (0.46) RAB9ASMN1; SMN2MAPTNPC1PKM
SCHEMBL3815728 0.87 ADRA2A (0.45) RAB9ASMN1; SMN2MAPTNPC1PKM
SCHEMBL3814274 0.87 RAB9A (0.44) RAB9ASMN1; SMN2MAPTNPC1PKM
SCHEMBL3818713 0.86 MAPT (0.43) RAB9ASMN1; SMN2MAPTNPC1PKM
SCHEMBL3816617 0.86 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2MAPTNPC1PKM
SCHEMBL3820867 0.85 NPC1 (0.42) RAB9ASMN1; SMN2MAPTNPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 — — US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 — — US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 — — US disclosed
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 — — EP disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 — — US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 — — US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 — — US disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 — — WO disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 — — WO disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 — — US disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 — — US disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 — — US disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 — — 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 (4 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-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 RAB9A 1214/4885SMN1; SMN2 614/4885MAPT 7/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RAB9A 1054/4885SMN1; SMN2 1292/4885MAPT 101/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RAB9A 808/4885SMN1; SMN2 31/4885MAPT 9/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP RAB9A 2588/4885SMN1; SMN2 2432/4885MAPT 1982/4885

“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.