SCHEMBL4393075

SCHEMBL4393075

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC4CC4)nn(CC(C)C)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP30 Q70CQ3 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1F P30939 1/20 0.38
MAPT P10636 2/20 0.38
HTR3A P46098 2/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL4397264 0.91 NPC1 (0.39) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL4794383 0.88 CCNE1 (0.41) KDM4EALDH1A1HPGDGAATDP1
SCHEMBL4394568 0.86 HTR3A (0.42) HPGDNPC1RAB9ACYP1A2CYP2C19
SCHEMBL4400221 0.86 P2RY14 (0.50) HPGDNPC1RAB9ACYP1A2CYP2C19
SCHEMBL4396932 0.84 ADORA3 (0.44) NPC1RAB9AMEN1KMT2AHTR1F
SCHEMBL4401713 0.83 GRM5 (0.39) KDM4EALDH1A1HPGDGAATDP1
SCHEMBL4394567 0.82 RAB9A (0.42) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL4399226 0.79 NAMPT (0.41) KDM4EALDH1A1HPGDTDP1NPC1
SCHEMBL4794506 0.79 CCNE1 (0.40) ALDH1A1CYP1A2USP30MEN1KMT2A
SCHEMBL4398483 0.76 NPC1 (0.42) KDM4EALDH1A1HPGDGAATDP1

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 6 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-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
EP-1919482-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-05-14 EP disclosed
WO-2007024789-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2007-03-01 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-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 KDM4E 2349/4885ALDH1A1 2105/4885HPGD 1508/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KDM4E 1625/4885ALDH1A1 2253/4885HPGD 2132/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KDM4E 1641/4885ALDH1A1 2944/4885HPGD 2658/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP KDM4E 3660/4885ALDH1A1 1240/4885HPGD 406/4885

“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.