SCHEMBL14005605

SCHEMBL14005605

CC(C)(C)c1cncc(Oc2cccnc2N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
LTA4H P09960 1/20 0.37
MAPK14 Q16539 1/20 0.37
BACE1 P56817 2/20 0.37
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.35
MAPK1 P28482 1/20 0.35
DGAT2 Q96PD7 5/20 0.35
KDM4E B2RXH2 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 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
SCHEMBL14005471 0.81 P2RY1 (0.36) RAB9ABACE1POLBHTTLMNA
SCHEMBL14030261 0.78 NPC1 (0.45) RAB9ANPC1LTA4HMAPK14BACE1
SCHEMBL14005470 0.77 ICAM1 (0.38) RAB9ANPC1POLBMAPTSMN1; SMN2
SCHEMBL14005474 0.77 ICAM1 (0.35) RAB9ANPC1POLBL3MBTL1MAPT
SCHEMBL14005481 0.74 KDM4E (0.46) RAB9ANPC1POLBHTTMAPT
SCHEMBL14005414 0.74 NOS3 (0.47) RAB9ANPC1MAPK14POLBLMNA
SCHEMBL4741489 0.74 ALDH1A1 (0.48) HTTDGAT2
SCHEMBL14005477 0.72 MPO (0.44) RAB9ANPC1LTA4HPOLBMAPT
SCHEMBL14005483 0.72 RAB9A (0.43) RAB9ANPC1POLBLMNAMAPT
SCHEMBL14005479 0.71 KDM4E (0.68) RAB9ANPC1POLBHTTL3MBTL1

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 RAB9A 1685/4885NPC1 2507/4885LTA4H 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.