SCHEMBL5115963

SCHEMBL5115963

CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3cnc(N)cn3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
PDPK1 O15530 1/20 0.37
NTRK1 P04629 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
AURKA O14965 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
CDK8 P49336 1/20 0.36
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL5108254 0.87 PDPK1 (0.40) EGFRERBB2PDPK1NTRK1CA1
SCHEMBL5110068 0.86 NTRK1 (0.35) EGFRERBB2NTRK1CA1CA2
SCHEMBL5122235 0.85 MKNK1 (0.39) EGFRERBB2NTRK1CA1CA2
SCHEMBL5123850 0.84 MAPT (0.43) EGFRERBB2NTRK1AURKAABL1
SCHEMBL5114670 0.84 MAPT (0.40) EGFRERBB2NTRK1CA1CA2
SCHEMBL5121004 0.81 MKNK1 (0.39) EGFRERBB2NTRK1CA1CA2
SCHEMBL5110245 0.80 MAPT (0.38) EGFRERBB2RPS6KB1SMN1; SMN2KCNQ3
SCHEMBL5121443 0.80 MAPT (0.42) EGFRERBB2NTRK1GRK6
SCHEMBL4573442 0.79 TP53 (0.47) NTRK1MAPK14MAPK1SMN1; SMN2APP
SCHEMBL5122231 0.79 MAPK1 (0.37) EGFRERBB2CA1CA2CA9

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 EGFR 3607/4885ERBB2 1976/4885PDPK1 3398/4885

“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.