SCHEMBL4103232

SCHEMBL4103232

CCCc1nc(N)nc2ccc(-c3ccc(N4CCOCC4)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TLR9 Q9NR96 1/20 0.46
DHFR P00374 3/20 0.45
ADK P55263 1/20 0.42
XDH P47989 1/20 0.41
AHR P35869 1/20 0.41
NOS1 P29475 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PRKDC P78527 1/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL4102242 0.88 DHFR (0.44) DHFRKDRKIT
SCHEMBL4107277 0.86 ALK (0.46) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL4095676 0.83 TLR8 (0.51) KDRHPGD
SCHEMBL4113387 0.83 KDM4E (0.51) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL4095651 0.78 DHFR (0.43) RAB9AKDM4ESMN1; SMN2NPC1DHFR
SCHEMBL4096302 0.78 LMNA (0.40) MAPTRAB9AKDM4ESMN1; SMN2GAA
SCHEMBL4106851 0.77 MAPT (0.55) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL4102869 0.77 HEXA (0.39) RAB9ANPC1DHFRMAPK1
SCHEMBL4107712 0.77 ATR (0.48) RAB9ANPC1KDRSYK
SCHEMBL4106506 0.76 NPC1 (0.43) MAPTRAB9AKDM4ESMN1; SMN2NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD MAPT 1752/4885RAB9A 3470/4885KDM4E 2414/4885

“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.