SCHEMBL3016765

SCHEMBL3016765

O=C(Nc1ccccc1)c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cnccc5n4)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PDE4B Q07343 3/20 0.35
MAPK13 O15264 1/20 0.35
HTR2B P41595 1/20 0.35
PDE4D Q08499 1/20 0.34
DGAT1 O75907 1/20 0.34
ATR Q13535 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TNKS O95271 1/20 0.34
HTR3A P46098 2/20 0.33
CYP2C9 P11712 1/20 0.33
NR4A2 P43354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL871516 0.92 RAB9A (0.54) NPC1RAB9APDE4BATRLMNA
SCHEMBL871515 0.92 RAB9A (0.54) NPC1RAB9APDE4BATRLMNA
SCHEMBL871132 0.85 NPC1 (0.49) NPC1RAB9APDE4BPDE4DSMN1; SMN2
SCHEMBL871133 0.85 NPC1 (0.49) NPC1RAB9APDE4BPDE4DSMN1; SMN2
SCHEMBL870899 0.84 PDE4B (0.47) NPC1RAB9APDE4BPDE4DTNKS
SCHEMBL870898 0.84 PDE4B (0.47) NPC1RAB9APDE4BPDE4DTNKS
SCHEMBL13853378 0.83 PDE4B (0.42) NPC1RAB9APDE4BPDE4DSMN1; SMN2
SCHEMBL4224554 0.83 NPC1 (0.46) NPC1RAB9APDE4BPDE4DSMN1; SMN2
SCHEMBL4224541 0.83 NPC1 (0.46) NPC1RAB9APDE4BPDE4DSMN1; SMN2
SCHEMBL871613 0.82 PDE4B (0.42) NPC1RAB9APDE4BDGAT1SMN1; SMN2

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-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 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-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A NPC1 3510/4885RAB9A 1730/4885PDE4B 2/4885

“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.