SCHEMBL4488064

SCHEMBL4488064

N#Cc1ccc(N2CCc3c(Cl)ncnc32)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.50
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FLT3 P36888 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SMO Q99835 5/20 0.39
CYP11B2 P19099 1/20 0.38
CRHR1 P34998 1/20 0.37
GPR39 O43194 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MAOB P27338 1/20 0.37
PANK3 Q9H999 4/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
GRM5 P41594 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4496039 0.77 HTT (0.35) GPR119HTT
SCHEMBL4494380 0.69 ALDH1A1 (0.39) GPR119ALDH1A1CRHR1JAK2JAK3
SCHEMBL20391221 0.69 CYP11B2 (0.50) GPR119KDM4EALDH1A1L3MBTL1CYP11B2
SCHEMBL3601540 0.68 SMO (0.68) SMO
SCHEMBL4492509 0.67 HTT (0.40) GPR119KDM4EALDH1A1HTT
SCHEMBL1461869 0.67 CYP11B2 (0.48) GPR119KDM4EALDH1A1L3MBTL1CYP11B2
SCHEMBL3048925 0.66 KDM4E (0.54) GPR119KDM4EALDH1A1L3MBTL1SMO
SCHEMBL14844043 0.66 SMO (0.56) GPR119KDM4EALDH1A1L3MBTL1SMO
SCHEMBL29514660 0.66 KDM4E (0.54) GPR119KDM4EALDH1A1L3MBTL1SMO
SCHEMBL27947502 0.66 KDM4E (0.46) GPR119KDM4EALDH1A1L3MBTL1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222261-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2012-07-17 US disclosed
US-20090318477-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-12-24 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 (1 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-20090318477-A1 CHEMICAL COMPOUNDS GPR119, GOT2, SLC5A2 GPR119 1/4885KDM4E 3555/4885ALDH1A1 350/4885

“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.