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SCHEMBL4396419

SCHEMBL4396419

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC(C)C)nn(C(C)(C)C)c3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RET P07949 1/20 0.37
▸ GSK3B P49841 4/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ GRM1 Q13255 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ OPRK1 P41145 1/20 0.34

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
SCHEMBL3961436 0.88 RAB9A (0.42) KMT2ARETMAPTKDM4E
SCHEMBL4399145 0.83 GRM5 (0.47) KMT2AGRM5
SCHEMBL4398524 0.78 NAMPT (0.41) KMT2ACSF1RKDM4E
SCHEMBL4394525 0.78 RAB9A (0.40) GRM5GRM1MAPT
SCHEMBL5818277 0.77 KDM4E (0.38) RETGRM5GRM1KDM4ECCNE1
SCHEMBL4401795 0.76 RAB9A (0.40) RETMAPT
SCHEMBL4391824 0.75 RAB9A (0.45) KMT2AGRM5KDM4E
SCHEMBL4396431 0.74 KDM4E (0.43) RETGRM5GRM1KDM4E
SCHEMBL4394567 0.73 RAB9A (0.42) KMT2ARETCCNE1CDK2
SCHEMBL3961441 0.73 RAB9A (0.41) KMT2ARETKDM4E

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 PRKAB2 1505/4885PRKAG1 1424/4885PRKAA2 3857/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A PRKAB2 1506/4885PRKAG1 1569/4885PRKAA2 3523/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP PRKAB2 2138/4885PRKAG1 1901/4885PRKAA2 4065/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP PRKAB2 491/4885PRKAG1 463/4885PRKAA2 345/4885

“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.