SCHEMBL14030985

SCHEMBL14030985

CCc1cncc(Oc2cncc(N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GCK P35557 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
DDO Q99489 1/20 0.32
NOS3 P29474 1/20 0.32
ICAM1 P05362 1/20 0.32

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
SCHEMBL573755 0.82
SCHEMBL29564492 0.80 KCNH2 (0.43) KCNH2SCN5ASCN9ASMN1; SMN2NPC1
SCHEMBL14031023 0.79 MPO (0.44) CHRNB2CHRNA4NOS1NOS2NOS3
SCHEMBL14030070 0.78 LOXL2 (0.40) CHRNB2CHRNA4SMN1; SMN2NPC1RAB9A
SCHEMBL14030056 0.78 KDM4E (0.51) CHRNB2CHRNA4SMN1; SMN2NPC1RAB9A
SCHEMBL14030131 0.77 LTA4H (0.42) CHRNB2CHRNA4SMN1; SMN2KDM4EMEN1
SCHEMBL29564344 0.77 SCN9A (0.53) KCNH2SCN5ASCN9ASMN1; SMN2NPC1
SCHEMBL20554480 0.76 TDP1 (0.53) KCNH2SCN5ASCN9ASMN1; SMN2NPC1
SCHEMBL91481 0.75 CYP11B1 (0.46) CHRNB2CHRNA4KCNH2
SCHEMBL6928997 0.75 ALDH1A1 (0.41) KCNH2SCN5ASCN9AKDM4EMEN1

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 CHRNB2 2779/4885CHRNA4 2092/4885KCNH2 956/4885

“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.