SCHEMBL4102191

SCHEMBL4102191

CC(C)N1CCN(c2ccc(-c3ccc4nc(N)nc(Cc5ccccc5)c4n3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.44
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHFR P00374 2/20 0.39
MAP4K1 Q92918 1/20 0.38
SMO Q99835 1/20 0.38
F12 P00748 1/20 0.37
ESRRG P62508 1/20 0.36
MPO P05164 1/20 0.36
HTR6 P50406 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KHK P50053 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4113387 0.86 KDM4E (0.51) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4107277 0.85 ALK (0.46) ALKHRH3KDM4EMAPTNPC1
SCHEMBL4112835 0.85 PIM1 (0.45) MAP4K1MPOHTR6HRH4KHK
SCHEMBL4112507 0.84 MAP4K1 (0.47) ALKHRH3KDM4EMAPTNPC1
SCHEMBL4102280 0.80 DHFR (0.44) MAPTRAB9ADHFRMPO
SCHEMBL4113790 0.79 MPO (0.48) DHFRMPO
SCHEMBL4102036 0.79 MPO (0.41) DHFRMPO
SCHEMBL4107317 0.77 MAP4K4 (0.41) KDM4EMAPTNPC1RAB9ADHFR
SCHEMBL4113677 0.77 MAPK1 (0.41) KDM4EMAPTRAB9ASMOALDH1A1
SCHEMBL4103501 0.77 MPO (0.43) MAPTDHFRMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALK 2410/4885HRH3 1351/4885KDM4E 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.