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SCHEMBL5110068

SCHEMBL5110068

CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3cnc(N)s3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MET P08581 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ MAP4K2 Q12851 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ EGFR P00533 2/20 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
SCHEMBL5122541 0.87 CA1 (0.51) AURKACSF1RMAPK8MAPK1MAPT
SCHEMBL5115963 0.86 EGFR (0.39) NTRK1AURKAABL1LCKCSF1R
SCHEMBL5123850 0.85 MAPT (0.43) NTRK1AURKAABL1LCKCSF1R
SCHEMBL5114670 0.84 MAPT (0.40) NTRK1AURKAABL1LCKCSF1R
SCHEMBL5108254 0.83 PDPK1 (0.40) NTRK1AURKAABL1LCKCSF1R
SCHEMBL5122235 0.83 MKNK1 (0.39) NTRK1AURKAABL1LCKCSF1R
SCHEMBL4573442 0.80 TP53 (0.47) NTRK1MAPK14MAPK1SMN1; SMN2MAPT
SCHEMBL5121004 0.79 MKNK1 (0.39) NTRK1AURKAABL1LCKCSF1R
SCHEMBL4573402 0.79 MAPT (0.53) SMN1; SMN2MAPTKCNH3
SCHEMBL5114595 0.79 TLR8 (0.38) NTRK1AURKAABL1LCKCSF1R

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 NTRK1 3038/4885AURKA 2940/4885ABL1 1081/4885

“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.