SCHEMBL4396434

SCHEMBL4396434

CCCNC(=O)c1nn(C(C)(C)C)c2nc(N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.42
KDR P35968 4/20 0.42
GABRG2 P18507 7/20 0.39
GABRB3 P28472 7/20 0.39
GABRA2 P47869 7/20 0.39
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4397397 0.81 ELANE (0.43) RETKDRSMN1; SMN2MEN1ALDH1A1
SCHEMBL4399184 0.79 GABRP (0.38) RETKDRGABRG2GABRB3GABRA2
SCHEMBL3961441 0.79 RAB9A (0.41) RETKDRPOLBNPC1RAB9A
SCHEMBL15185777 0.65 KDM4E (0.43) GABRG2GABRB3GABRA2POLBTDP1
SCHEMBL3087918 0.62 ADORA3 (0.62) GABRG2GABRB3GABRA2NPC1RAB9A
SCHEMBL31040023 0.61 POLB (0.41) GABRG2GABRB3GABRA2POLBTDP1
SCHEMBL23686002 0.61 POLB (0.42) POLBTDP1MAPTKDM4EALDH1A1
SCHEMBL31040110 0.60 POLB (0.40) GABRG2GABRB3GABRA2POLBTDP1
SCHEMBL16748713 0.60 GABRG2 (0.41) GABRG2GABRB3GABRA2POLBTDP1
SCHEMBL23940253 0.60 KDM4E (0.42) POLBKDM4EMEN1ALDH1A1KMT2A

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 RET 4670/4885KDR 4737/4885GABRG2 1251/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RET 4669/4885KDR 4849/4885GABRG2 234/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RET 4484/4885KDR 4872/4885GABRG2 860/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP RET 1981/4885KDR 3446/4885GABRG2 2642/4885

“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.