SCHEMBL4396487

SCHEMBL4396487

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC(C)c4cccnc4)nn(CCc4ccccc4)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
ROCK2 O75116 5/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 3/20 0.38
RIPK1 Q13546 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
SCHEMBL4391894 0.92 P2RY14 (0.42) KMT2AROCK2ALDH1A1NAMPT
SCHEMBL4399421 0.90 ALDH1A1 (0.40) KMT2AADORA2AROCK2ALDH1A1POLB
SCHEMBL4399226 0.88 NAMPT (0.41) KMT2AADORA2AROCK2ALDH1A1NAMPT
SCHEMBL4392995 0.87 ROCK2 (0.44) KMT2AADORA2AROCK2NAMPTRIPK1
SCHEMBL4396773 0.83 NAMPT (0.43) KMT2AADORA2AROCK2ALDH1A1POLB
SCHEMBL4398524 0.82 NAMPT (0.41) KMT2AADORA2AROCK2ALDH1A1POLB
SCHEMBL4396932 0.80 ADORA3 (0.44) KMT2AADORA3ADORA2AADORA1POLB
SCHEMBL4396840 0.79 P2RY14 (0.48) KMT2AADORA3ADORA2AADORA1POLB
SCHEMBL5821211 0.78 ADORA2B (0.39) ADORA2AALDH1A1LMNAPOLBHTT
SCHEMBL4398540 0.78 ADORA3 (0.44) KMT2AADORA3ADORA2AADORA1ALDH1A1

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 KMT2A 651/4885ADORA3 570/4885ADORA2A 458/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KMT2A 464/4885ADORA3 781/4885ADORA2A 286/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KMT2A 426/4885ADORA3 1476/4885ADORA2A 570/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP KMT2A 4307/4885ADORA3 3654/4885ADORA2A 2936/4885

“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.