SCHEMBL3335817

SCHEMBL3335817

CC(C)N1CCC(NC(=O)c2ccc(-c3ccc4nc(N)nc(OC5CCOC5)c4c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.49
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
TLR9 Q9NR96 5/20 0.42
TLR8 Q9NR97 5/20 0.42
TLR7 Q9NYK1 5/20 0.42
WNT1 P04628 4/20 0.42
DYRK1A Q13627 4/20 0.42
ROCK2 O75116 1/20 0.41

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
SCHEMBL3335812 1.00 HRH3 (0.49) HRH3ADORA2AADORA1TLR9TLR8
SCHEMBL3336644 0.90 MEN1 (0.42) DYRK1AROCK2
SCHEMBL3336650 0.90 MEN1 (0.42) DYRK1AROCK2
SCHEMBL826365 0.87 HRH3 (0.48) HRH3ADORA2AADORA1TLR9TLR8
SCHEMBL823815 0.87 HRH3 (0.48) HRH3ADORA2AADORA1TLR9TLR8
SCHEMBL5140192 0.83 BMPR1B (0.39) TLR7
SCHEMBL3336061 0.81 CD274 (0.54) HRH3ADORA2AADORA1
SCHEMBL3336059 0.81 CD274 (0.54) HRH3ADORA2AADORA1
SCHEMBL3335079 0.81 PIK3CA (0.54) HRH3ADORA2AADORA1
SCHEMBL3335087 0.81 PIK3CA (0.54) HRH3ADORA2AADORA1

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 HRH3 96/4885ADORA2A 1968/4885ADORA1 870/4885

“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.