SCHEMBL3335720

SCHEMBL3335720

CN1CCC[C@@H]1CCNC(=O)c1ccc(-c2ccc3nc(N)nc(OC4CCOC4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.48
PIK3CG P48736 3/20 0.43
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
ACKR3 P25106 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CD274 Q9NZQ7 4/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
POLR1A O95602 1/20 0.38
HPGDS O60760 1/20 0.37
LCK P06239 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL3335711 1.00 BRAF (0.48) BRAFPIK3CGPIK3CAMTORTLR9
SCHEMBL3335713 1.00 BRAF (0.48) BRAFPIK3CGPIK3CAMTORTLR9
SCHEMBL3335079 0.88 PIK3CA (0.54) BRAFPIK3CGPIK3CAMTORCD274
SCHEMBL3335087 0.88 PIK3CA (0.54) BRAFPIK3CGPIK3CAMTORCD274
SCHEMBL823739 0.87 BRAF (0.43) BRAFPIK3CGPIK3CAMTORTLR9
SCHEMBL826441 0.87 BRAF (0.43) BRAFPIK3CGPIK3CAMTORTLR9
SCHEMBL3336059 0.87 CD274 (0.54) PIK3CGPIK3CAMTORCD274HPGDS
SCHEMBL3336061 0.87 CD274 (0.54) PIK3CGPIK3CAMTORCD274HPGDS
SCHEMBL3335090 0.86 PIK3CA (0.50) BRAFPIK3CGPIK3CAMTORCD274
SCHEMBL3335092 0.86 PIK3CA (0.50) BRAFPIK3CGPIK3CAMTORCD274

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 BRAF 2516/4885PIK3CG 3210/4885PIK3CA 2646/4885

“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.