SCHEMBL5652796

SCHEMBL5652796

CS(=O)(=O)c1ccc(-n2ncc3c(NC4CCN(c5ccccn5)CC4C(F)(F)F)ncnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.51
TP53 P04637 6/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL390896 0.76 GPR119 (0.62) GPR119TP53KDM4ENPC1RAB9A
SCHEMBL5652107 0.76 GPR119 (0.55) GPR119NPC1RAB9ALMNAALDH1A1
SCHEMBL6015448 0.76 GPR119 (0.53) GPR119NPC1RAB9ALMNAALDH1A1
SCHEMBL390871 0.75 GPR119 (0.62) GPR119TP53KDM4ENPC1RAB9A
SCHEMBL12914919 0.72 TP53 (0.74) GPR119TP53KDM4ENPC1RAB9A
SCHEMBL12835886 0.71 GPR119 (0.66) GPR119TP53KDM4ENPC1RAB9A
SCHEMBL12903920 0.71 GPR119 (0.66) GPR119TP53KDM4ENPC1RAB9A
SCHEMBL391084 0.71 GPR119 (0.66) GPR119TP53KDM4ENPC1RAB9A
SCHEMBL1245463 0.71 GPR119 (0.66) GPR119TP53KDM4ENPC1RAB9A
SCHEMBL5653149 0.70 GPR119 (0.56) GPR119TP53LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICLAS, INC. (US) 2007-04-12 US claimed

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-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 GPR119 36/4885TP53 4398/4885KDM4E 1864/4885

“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.