SCHEMBL4396431

SCHEMBL4396431

CC(C)NC(=O)c1nn(C(C)(C)C)c2nc(N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
RET P07949 9/20 0.41
KDR P35968 1/20 0.41
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MLYCD O95822 1/20 0.34
BACE1 P56817 1/20 0.34
ACVR1 Q04771 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL4399184 0.81 GABRP (0.38) RETKDR
SCHEMBL4396434 0.81 RET (0.42) KDM4ERETKDRGRM5SMN1; SMN2
SCHEMBL4397397 0.81 ELANE (0.43) RETKDRCYP1A2SMN1; SMN2LMNA
SCHEMBL3961436 0.78 RAB9A (0.42) KDM4ERETSMN1; SMN2MLYCDLMNA
SCHEMBL4396419 0.74 PRKAB2 (0.42) KDM4ERETGRM5GRM1
SCHEMBL4399145 0.74 GRM5 (0.47) GRM5
SCHEMBL4394525 0.66 RAB9A (0.40) GRM5GRM1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14356490 0.66 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2LMNA
SCHEMBL4400477 0.64 CNR1 (0.32) KDM4EL3MBTL1LMNA
SCHEMBL12807927 0.62 HTR4 (0.50) KDM4ECYP1A2DYRK1A

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 KDM4E 2349/4885RET 4670/4885KDR 4737/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KDM4E 1625/4885RET 4669/4885KDR 4849/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KDM4E 1641/4885RET 4484/4885KDR 4872/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP KDM4E 3660/4885RET 1981/4885KDR 3446/4885

“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.