Sugi Predict

Sugi Predict / Compounds / SCHEMBL3336141

SCHEMBL3336141

SCHEMBL3336141

CC(C)(CN1CCOCC1)NC(=O)c1ccc(-c2ccc3nc(N)nc(OC4CCOC4)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.46
▸ NAMPT P43490 2/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ CD274 Q9NZQ7 7/20 0.37
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL3336137 1.00 JAK1 (0.46) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL3337179 0.95 HDAC4 (0.44) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL3337183 0.95 HDAC4 (0.44) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL826693 0.87 JAK1 (0.44) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL823752 0.87 JAK1 (0.44) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL3336059 0.86 CD274 (0.54) PIK3CAMTORPIK3CGCD274HPGDS
SCHEMBL3336061 0.86 CD274 (0.54) PIK3CAMTORPIK3CGCD274HPGDS
SCHEMBL825965 0.83 HDAC4 (0.44) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL823748 0.83 HDAC4 (0.44) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL3335087 0.81 PIK3CA (0.54) PIK3CAMTORPIK3CGCD274HPGDS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 — — US claimed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 — — US claimed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 — — US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 — — 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 JAK1 1051/4885NAMPT 2914/4885HDAC4 1425/4885

“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.