SCHEMBL5116414

SCHEMBL5116414

Oc1nc(NCC(F)(F)F)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 4/20 0.36
ADORA2A P29274 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
PTGS2 P35354 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL5122262 0.86 TP53 (0.38) TP53SMN1; SMN2MAPTADORA2ATDP1
SCHEMBL4573281 0.85 MAPT (0.44) TP53SMN1; SMN2MAPTADORA2ATDP1
SCHEMBL14131837 0.82 MAPT (0.41) TP53SMN1; SMN2MAPTADORA2ATDP1
SCHEMBL14131653 0.81 TP53 (0.52) TP53SMN1; SMN2MAPTADORA2ATDP1
SCHEMBL14140290 0.81 SYK (0.36) TP53SMN1; SMN2MAPTADORA2ATDP1
SCHEMBL5114989 0.80 MAP4K4 (0.44) TP53SMN1; SMN2MAPTADORA2ATDP1
SCHEMBL5112172 0.80 MAPT (0.35) TP53SMN1; SMN2MAPTADORA2ATDP1
SCHEMBL5115971 0.80 MAPT (0.46) TP53SMN1; SMN2MAPTADORA2ATDP1
SCHEMBL4573372 0.77 CYP3A4 (0.47) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL5114180 0.77 KDM4E (0.43) TP53SMN1; SMN2MAPTADORA2ATDP1

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 TP53 1223/4885SMN1; SMN2 2183/4885MAPT 3290/4885

“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.