SCHEMBL826424

SCHEMBL826424

Nc1nc(OC2CCOC2)c2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.37
ATR Q13535 1/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CG P48736 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
ACP1 P24666 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
GRM4 Q14833 2/20 0.34
FGFR1 P11362 1/20 0.33
FGFR3 P22607 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
IP6K1 Q92551 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
SCHEMBL823687 1.00 MTOR (0.37) MTORATRPIK3CAPIK3CGMAPK8
SCHEMBL3335228 0.86 LIPG (0.38) MTORPIK3CAPIK3CGMAPK8MAPK9
SCHEMBL3335235 0.86 LIPG (0.38) MTORPIK3CAPIK3CGMAPK8MAPK9
SCHEMBL4421606 0.84 CHEK2 (0.40) MTORMAPK8MAPK9GRM4
SCHEMBL826378 0.84 PIK3CA (0.51) MTORPIK3CAPIK3CG
SCHEMBL823662 0.84 PIK3CA (0.52) MTORATRPIK3CAPIK3CGHDAC3
SCHEMBL823780 0.84 PIK3CA (0.51) MTORPIK3CAPIK3CG
SCHEMBL826417 0.84 PIK3CA (0.52) MTORATRPIK3CAPIK3CGHDAC3
SCHEMBL825991 0.83 PIK3CA (0.48) MTORATRPIK3CAPIK3CGACP1
SCHEMBL823658 0.83 PIK3CA (0.48) MTORATRPIK3CAPIK3CGACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP MTOR 4090/4885ATR 2936/4885PIK3CA 1189/4885

“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.