SCHEMBL4906756

SCHEMBL4906756

Cc1sc(-c2cccc(-n3cccc3)c2)nc1CCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCK P27707 2/20 0.41
GAA P10253 2/20 0.37
AOC2 O75106 2/20 0.36
MAPT P10636 2/20 0.36
HRH3 Q9Y5N1 3/20 0.34
PPARG P37231 7/20 0.34
PPARA Q07869 7/20 0.34
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
PTBP1 P26599 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4897981 0.88 DCK (0.38) DCKGAAAOC2HRH3PPARG
SCHEMBL4902419 0.78 RARA (0.47) GAAMAPTHRH3PPARGPPARA
SCHEMBL4906239 0.78 TRPM8 (0.46) GAAMAPTNPC1ALDH1A1PKM
SCHEMBL4906594 0.75 DCK (0.39) DCKMAPTPPARGPPARAKDM4E
SCHEMBL14736584 0.72 PPARA (0.46) DCKGAAMAPTPPARGPPARA
SCHEMBL4904262 0.71 LMNA (0.45) MAPTKDM4EPOLBTP53
SCHEMBL4900770 0.71 LMNA (0.38) MAPTPPARGPPARATP53
SCHEMBL4907063 0.70 DCK (0.43) DCKMAPTPPARGPPARATP53
SCHEMBL14736546 0.70 CDC7 (0.49) MAPTKDM4EPOLBALDH1A1
SCHEMBL4905780 0.70 APEX1 (0.47) DCKGAAMAPTHRH3PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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 (3 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD DCK 3882/4885GAA 1383/4885AOC2 4549/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD DCK 3976/4885GAA 1367/4885AOC2 4612/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD DCK 3976/4885GAA 1367/4885AOC2 4612/4885

“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.