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SCHEMBL5123205

SCHEMBL5123205

CC(C)(CN1CCCC1)NC(=O)c1ccc(-c2ccc3nc(NCc4ccc(S(N)(=O)=O)cc4)nc(NCC(F)(F)F)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.43
▸ PTGS2 P35354 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CA1 P00915 9/20 0.35
▸ CA2 P00918 9/20 0.35
▸ CA9 Q16790 7/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ TCF7L2 Q9NQB0 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ TBK1 Q9UHD2 3/20 0.34
▸ IKBKE Q14164 2/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ NUAK2 Q9H093 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34

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
SCHEMBL5116007 0.85 CA1 (0.41) HDAC4PTGS2CA1CA2CA9
SCHEMBL5121961 0.83 PTGS2 (0.46) PTGS2KDM4ENPC1MAPTCA1
SCHEMBL5116817 0.82 PTGS2 (0.42) PTGS2KDM4ECA1CA2CA9
SCHEMBL5122146 0.81 PTGS2 (0.38) PTGS2KDM4ENPC1MAPTCA1
SCHEMBL5121534 0.80 PTGS2 (0.48) PTGS2KDM4ENPC1MAPTCA1
SCHEMBL1791314 0.80 PTGS2 (0.48) PTGS2KDM4ENPC1MAPTCA1
SCHEMBL14131750 0.80 PTGS2 (0.39) PTGS2KDM4ENPC1MAPTCA1
SCHEMBL5112341 0.79 PTGS2 (0.48) PTGS2KDM4ENPC1MAPTCA1
SCHEMBL5121965 0.79 PTGS2 (0.48) PTGS2KDM4ENPC1MAPTCA1
SCHEMBL5115285 0.79 PTGS2 (0.48) PTGS2KDM4ENPC1MAPTCA1

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 HDAC4 3964/4885PTGS2 1073/4885KDM4E 3976/4885

“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.