SCHEMBL4573281

SCHEMBL4573281

Oc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TP53 P04637 3/20 0.44
ADORA2A P29274 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNH3 Q9ULD8 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
AURKA O14965 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK8 P45983 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
SCHEMBL14131653 0.94 TP53 (0.52) MAPTTP53ADORA2ATDP1KCNH3
SCHEMBL4573208 0.89 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL14140183 0.86 CTNNB1 (0.40) KCNH3MEN1KMT2A
SCHEMBL4573372 0.86 CYP3A4 (0.47) SMN1; SMN2MAPK14KDM4EHTTHSD17B10
SCHEMBL14140346 0.85 CTNNB1 (0.39) KCNH3
SCHEMBL5116414 0.85 TP53 (0.37) MAPTTP53ADORA2ATDP1SMN1; SMN2
SCHEMBL14140182 0.84 TP53 (0.44) MAPTTP53ADORA2ATDP1KCNH3
SCHEMBL5123413 0.83 KCNH3 (0.44) MAPTTP53ADORA2ATDP1KCNH3
SCHEMBL5121413 0.81 MAP4K4 (0.47) MAPTTP53ADORA2ATDP1KCNH3
SCHEMBL5111070 0.81 MAPT (0.50) MAPTTP53ADORA2ATDP1KCNH3

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 8 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
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 MAPT 3290/4885TP53 1223/4885ADORA2A 260/4885

“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.