SCHEMBL14005477

SCHEMBL14005477

CC(C)(C)c1cncc(Oc2ccc(N)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.44
TPO P07202 1/20 0.44
EPX P11678 1/20 0.44
LPO P22079 1/20 0.44
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CDK8 P49336 15/20 0.39
CDK7 P50613 1/20 0.39
CDK6 Q00534 1/20 0.39
LTA4H P09960 1/20 0.39
XDH P47989 1/20 0.38

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
SCHEMBL14005414 0.81 NOS3 (0.47) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL14005483 0.79 RAB9A (0.43) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL14005542 0.78 XDH (0.44) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL14031023 0.76 MPO (0.44) MPOTPOEPXLPOCDK8
SCHEMBL14005481 0.75 KDM4E (0.46) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL14005479 0.75 KDM4E (0.68) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL29564176 0.74 LTA4H (0.60) MPOTPOEPXLPOALDH1A1
SCHEMBL14005475 0.74 RAB9A (0.38) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL14005605 0.72 RAB9A (0.39) RAB9ANPC1MAPTMAPK1KDM4E
SCHEMBL14005471 0.72 P2RY1 (0.36) RAB9AKDM4EPOLB

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 MPO 1966/4885TPO 2217/4885EPX 3395/4885

“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.