SCHEMBL5116006

SCHEMBL5116006

CCOc1nc(NCc2ccc(F)cc2F)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
NTRK1 P04629 15/20 0.42
NTRK3 Q16288 3/20 0.38
NTRK2 Q16620 3/20 0.38
MAP4K4 O95819 1/20 0.38
BCDIN3D Q7Z5W3 1/20 0.35

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
SCHEMBL5116226 0.92 NTRK1 (0.42) GAANTRK1NTRK3NTRK2BCDIN3D
SCHEMBL5116297 0.90 ARNT (0.39) GAANTRK1MAP4K4
SCHEMBL5115933 0.89 SGK1 (0.34) GAANTRK1NTRK3MAP4K4
SCHEMBL5116366 0.88 MAP4K4 (0.36) NTRK1NTRK3MAP4K4
SCHEMBL5123850 0.86 MAPT (0.43) GAANTRK1NTRK3
SCHEMBL4573278 0.86 MAP4K4 (0.42) MAP4K4
SCHEMBL5116771 0.85 NAMPT (0.39) NTRK1MAP4K4
SCHEMBL5121955 0.85 MAPT (0.38) NTRK1NTRK3MAP4K4
SCHEMBL14131674 0.85 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL5115353 0.85 MAP4K4 (0.40) NTRK1NTRK3MAP4K4

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 GAA 4185/4885NTRK1 3038/4885NTRK3 1021/4885

“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.