SCHEMBL4879367

SCHEMBL4879367

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3ccc(F)c(F)c3)c2=O)CC1)c1cn2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TNKS O95271 1/20 0.44
PDE4B Q07343 8/20 0.42
PDE4D Q08499 6/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SSTR2 P30874 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
SCHEMBL4879361 1.00 NPC1 (0.44) NPC1RAB9ATNKSPDE4BPDE4D
SCHEMBL870644 0.90 NPC1 (0.44) NPC1RAB9ATNKSPDE4BPDE4D
SCHEMBL870643 0.90 NPC1 (0.44) NPC1RAB9ATNKSPDE4BPDE4D
SCHEMBL871133 0.89 NPC1 (0.49) NPC1RAB9ATNKSPDE4BPDE4D
SCHEMBL871132 0.89 NPC1 (0.49) NPC1RAB9ATNKSPDE4BPDE4D
SCHEMBL872761 0.88 TNKS (0.43) NPC1RAB9ATNKSPDE4BPDE4D
SCHEMBL872762 0.88 TNKS (0.43) NPC1RAB9ATNKSPDE4BPDE4D
SCHEMBL870724 0.88 TNKS (0.49) NPC1RAB9ATNKSPDE4BKDM4E
SCHEMBL869972 0.88 TNKS (0.49) NPC1RAB9ATNKSPDE4BKDM4E
SCHEMBL871786 0.87 NPC1 (0.46) NPC1RAB9ATNKSPDE4BPDE4D

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-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases ASTRAZENECA AB (SE) 2008-09-18 US claimed
US-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases ASTRAZENECA AB (SE) 2008-09-18 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-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases PDE4A, PDE4B, PDE5A NPC1 4184/4885RAB9A 1840/4885TNKS 1280/4885

“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.