SCHEMBL14030261

SCHEMBL14030261

CCc1cncc(Oc2cccnc2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LTA4H P09960 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 2/20 0.39
GCK P35557 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
DGAT2 Q96PD7 3/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34

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
SCHEMBL14030952 0.81 DGAT2 (0.39) MAPTBACE1CHRNB2CHRNA4DGAT2
SCHEMBL14005605 0.78 RAB9A (0.39) NPC1RAB9ALTA4HMAPK14MAPT
SCHEMBL14030057 0.77 GCK (0.36) GCKCHRNB2CHRNA4NOS3NOS1
SCHEMBL14030954 0.77 ICAM1 (0.38) GCKCHRNB2CHRNA4NOS3NOS1
SCHEMBL4741489 0.76 ALDH1A1 (0.48) HTTDGAT2
SCHEMBL14030070 0.74 LOXL2 (0.40) NPC1RAB9AHTTSMN1; SMN2GCK
SCHEMBL14031023 0.72 MPO (0.44) LTA4HCHRNB2CHRNA4NOS3NOS1
SCHEMBL14030985 0.72 CHRNB2 (0.40) NPC1RAB9ASMN1; SMN2GCKCHRNB2
SCHEMBL3209263 0.72 NPC1 (0.45) NPC1RAB9ALTA4HMAPK14MAPT
SCHEMBL3200250 0.72 NPC1 (0.51) NPC1RAB9ALTA4HMAPK14MAPT

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 NPC1 2507/4885RAB9A 1685/4885LTA4H 3917/4885

“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.