SCHEMBL4396396

SCHEMBL4396396

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC(C)c4ccncc4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
RIPK1 Q13546 1/20 0.40
ROCK2 O75116 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
AKT1 P31749 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL4391598 0.89 RIPK1 (0.43) ALDH1A1KMT2APOLBTDP1RIPK1
SCHEMBL3833164 0.88 RAB9A (0.42) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL4396816 0.87 RAB9A (0.41) ALDH1A1KMT2APOLBMEN1NPC1
SCHEMBL5455582 0.87 POLB (0.46) ALDH1A1KMT2APOLBTDP1ROCK2
SCHEMBL4396819 0.87 RAB9A (0.41) ALDH1A1KMT2APOLBMEN1NPC1
SCHEMBL3830200 0.85 MAPT (0.44) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL4399299 0.85 MAPT (0.44) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL4398009 0.84 RAB9A (0.40) POLBMAPTNPC1RAB9AMAP3K5
SCHEMBL4400720 0.83 NAMPT (0.48) ALDH1A1KMT2APOLBTDP1MAPK1
SCHEMBL14357151 0.83 ALDH1A1 (0.45) ALDH1A1KMT2APOLBTDP1ROCK2

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 4 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
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 ALDH1A1 2105/4885KMT2A 651/4885POLB 4081/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ALDH1A1 2253/4885KMT2A 464/4885POLB 4164/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ALDH1A1 2944/4885KMT2A 426/4885POLB 3487/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP ALDH1A1 1240/4885KMT2A 4307/4885POLB 135/4885

“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.