SCHEMBL5115198

SCHEMBL5115198

CC(C)Nc1nc(NCCN2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PDE5A O76074 4/20 0.50
HSD17B10 Q99714 3/20 0.47
CYP3A4 P08684 2/20 0.47
HTR2A P28223 1/20 0.47
SYK P43405 2/20 0.44
SCN9A Q15858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
DHFR P00374 1/20 0.42
MAP4K4 O95819 2/20 0.42
MET P08581 1/20 0.42

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
SCHEMBL5114885 0.85 NPC1 (0.52) NPC1RAB9APDE5AHSD17B10CYP3A4
SCHEMBL1789309 0.85 PDE5A (0.53) NPC1RAB9APDE5AHSD17B10CYP3A4
SCHEMBL4573316 0.80 MAP4K4 (0.46) PDE5AHSD17B10CYP3A4KDM4EALDH1A1
SCHEMBL5120988 0.79 KCNH3 (0.46) PDE5AHTR2ASYKKDM4EALDH1A1
SCHEMBL5112294 0.78 MAP4K4 (0.45) PDE5ASCN9AMKNK1MAP4K4
SCHEMBL5114989 0.77 MAP4K4 (0.44) PDE5ASYKMAP4K4
SCHEMBL4573891 0.76 APP (0.50) PDE5AHTR2AKDM4EALDH1A1KMT2A
SCHEMBL5109485 0.74 KCNH3 (0.53) NPC1RAB9APIK3CAMEN1KMT2A
SCHEMBL5109204 0.73 NPR1 (0.48) PDE5ASCN9AMAP4K4
SCHEMBL5108478 0.72 PDE5A (0.48) PDE5AHSD17B10CYP3A4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP NPC1 2244/4885RAB9A 2543/4885PDE5A 1222/4885

“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.