SCHEMBL5122663

SCHEMBL5122663

Fc1ccc(CNc2nc(NC3CCOC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.42
MAP4K4 O95819 4/20 0.40
PDE5A O76074 4/20 0.39
SYK P43405 1/20 0.39
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
DNMT3A Q9Y6K1 3/20 0.38
EHMT2 Q96KQ7 2/20 0.38
NTRK1 P04629 2/20 0.38
PLK4 O00444 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL14131465 1.00 IRAK4 (0.42) IRAK4MAP4K4PDE5ASYKPDE1A
SCHEMBL1790471 0.80 MAP4K4 (0.38) MAP4K4PDE5AHDAC1HDAC2
SCHEMBL14131708 0.80 MAP4K4 (0.38) MAP4K4PDE5AHDAC1HDAC2
SCHEMBL5107326 0.80 PTGS2 (0.43) SYKCCNE2CCNA2CCNE1CDK2
SCHEMBL1792931 0.80 CCNE1 (0.46) PDE5ADNMT3AEHMT2CCNE2CCNA2
SCHEMBL5121413 0.77 MAP4K4 (0.47) MAP4K4NTRK1CCNE1CDK2CTNNB1
SCHEMBL1789309 0.76 PDE5A (0.53) MAP4K4PDE5A
SCHEMBL5115971 0.75 MAPT (0.46) NTRK1
SCHEMBL5122839 0.73 CCNE1 (0.47) NTRK1CCNE1CDK2CTNNB1TCF7L2
SCHEMBL14140182 0.73 TP53 (0.44) MAP4K4

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 2 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP IRAK4 2392/4885MAP4K4 1899/4885PDE5A 1222/4885

“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.