SCHEMBL3337183

SCHEMBL3337183

CC(C)(CN1CCCC1)NC(=O)c1ccc(-c2ccc3nc(N)nc(OC4CCOC4)c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
JAK1 P23458 1/20 0.41
MTOR P42345 4/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CG P48736 2/20 0.40
NAMPT P43490 2/20 0.35
JAK2 O60674 1/20 0.35
GRM4 Q14833 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
PDE10A Q9Y233 1/20 0.34
ATM Q13315 3/20 0.33
TTK P33981 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33

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
SCHEMBL3337179 1.00 HDAC4 (0.44) HDAC4JAK1MTORPIK3CAPIK3CG
SCHEMBL3336137 0.95 JAK1 (0.46) HDAC4JAK1MTORPIK3CAPIK3CG
SCHEMBL3336141 0.95 JAK1 (0.46) HDAC4JAK1MTORPIK3CAPIK3CG
SCHEMBL823748 0.87 HDAC4 (0.44) HDAC4JAK1MTORPIK3CAPIK3CG
SCHEMBL825965 0.87 HDAC4 (0.44) HDAC4JAK1MTORPIK3CAPIK3CG
SCHEMBL3335079 0.86 PIK3CA (0.54) MTORPIK3CAPIK3CG
SCHEMBL3335087 0.86 PIK3CA (0.54) MTORPIK3CAPIK3CG
SCHEMBL3335092 0.84 PIK3CA (0.50) JAK1MTORPIK3CAPIK3CG
SCHEMBL3335090 0.84 PIK3CA (0.50) JAK1MTORPIK3CAPIK3CG
SCHEMBL826693 0.83 JAK1 (0.44) HDAC4JAK1MTORPIK3CAPIK3CG

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 HDAC4 1425/4885JAK1 1051/4885MTOR 3038/4885

“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.