SCHEMBL14005474

SCHEMBL14005474

CC(C)(C)c1cncc(Oc2ccncc2N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
CA12 O43570 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA14 Q9ULX7 1/20 0.34
CA1 P00915 3/20 0.34
FGFR2 P21802 1/20 0.34
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
XDH P47989 1/20 0.33
TDO2 P48775 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL14005470 0.88 ICAM1 (0.38) ICAM1SELECA12CA2CA9
SCHEMBL23010322 0.80 ALDH1A1 (0.41) CA12CA2CA9CA14ALDH1A1
SCHEMBL14005605 0.77 RAB9A (0.39) ICAM1SELEFGFR2RAB9AKDM4E
SCHEMBL14030057 0.77 GCK (0.36) ICAM1SELECA12CA2CA9
SCHEMBL14005483 0.74 RAB9A (0.43) ICAM1SELERAB9AALDH1A1KDM4E
SCHEMBL14005471 0.74 P2RY1 (0.36) RAB9AKDM4EPOLBL3MBTL1CYP1A2
SCHEMBL14005481 0.73 KDM4E (0.46) FGFR2RAB9AALDH1A1KDM4ENPC1
SCHEMBL14005414 0.73 NOS3 (0.47) FGFR2RAB9AALDH1A1KDM4ENPC1
SCHEMBL15779486 0.73 LMNA (0.53) ALDH1A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL15055806 0.72 RAB9A (0.56) CA12CA2CA9CA1FGFR2

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 ICAM1 2265/4885SELE 4205/4885CA12 4507/4885

“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.