SCHEMBL5115933

SCHEMBL5115933

CCOc1nc(NCc2ccc(F)c(F)c2F)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 3/20 0.34
TRPV3 Q8NET8 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAP4K4 O95819 1/20 0.33
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
NTRK1 P04629 3/20 0.32
KDM4E B2RXH2 3/20 0.31
HPGD P15428 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL5116006 0.89 GAA (0.43) MAP4K4NTRK1GAANTRK3
SCHEMBL5116226 0.87 NTRK1 (0.42) SGK1NTRK1KDM4EHPGDALDH1A1
SCHEMBL14140181 0.87 MAP4K4 (0.36) RXFP1MAP4K4NPC1CASP3RAB9A
SCHEMBL5123076 0.85 MAP4K4 (0.35) RXFP1MAP4K4ALDH1A1MAPTGAA
SCHEMBL5123850 0.85 MAPT (0.43) SMN1; SMN2NTRK1KDM4EHPGDALDH1A1
SCHEMBL5116297 0.85 ARNT (0.39) MAP4K4NTRK1ALDH1A1MAPTMEN1
SCHEMBL4573278 0.85 MAP4K4 (0.42) RXFP1MAP4K4NPC1CASP3RAB9A
SCHEMBL5121955 0.84 MAPT (0.38) SGK1MAP4K4SMN1; SMN2NTRK1MAPT
SCHEMBL5111887 0.84 MAPT (0.39) SGK1MAP4K4SMN1; SMN2NTRK1MAPT
SCHEMBL5116366 0.83 MAP4K4 (0.36) SGK1TRPV3RXFP1MAP4K4SMN1; SMN2

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 SGK1 4702/4885TRPV3 2524/4885RXFP1 1583/4885

“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.