SCHEMBL3337708

SCHEMBL3337708

Nc1nc(OCC2CC2)c2cc(-c3cccc(O)c3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.49
SRC P12931 1/20 0.47
MAP4K4 O95819 2/20 0.46
ADORA1 P30542 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
PIK3CG P48736 4/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CD O00329 2/20 0.41
LRRK2 Q5S007 1/20 0.41
CDK2 P24941 4/20 0.39
SSTR2 P30874 1/20 0.38
SSTR4 P31391 1/20 0.38
CCNA2 P20248 3/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DHFR P00374 1/20 0.38
DCPS Q96C86 1/20 0.38
CTSA P10619 1/20 0.38
BRAF P15056 2/20 0.38

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
SCHEMBL3336052 0.90 TRIM58 (0.49) TRIM58MAP4K4ADORA1ADORA2ALRRK2
SCHEMBL3337015 0.85 TRIM58 (0.47) TRIM58MAP4K4CDK2CCNA2MTOR
SCHEMBL3333919 0.83 SRC (0.51) SRCMAP4K4ADORA1ADORA2AADORA2B
SCHEMBL3335542 0.83 SRC (0.51) SRCMAP4K4ADORA1ADORA2AADORA2B
SCHEMBL3337714 0.82 TRIM58 (0.49) TRIM58MAP4K4ADORA2APIK3CACDK2
SCHEMBL3340183 0.81 TRIM58 (0.50) TRIM58MAP4K4PIK3CALRRK2DHFR
SCHEMBL3334635 0.81 SRC (0.49) SRCMAP4K4ADORA1ADORA2AADORA2B
SCHEMBL3336480 0.81 TRIM58 (0.48) TRIM58MAP4K4ADORA1ADORA2ACDK2
SCHEMBL3338234 0.80 TRIM58 (0.48) TRIM58ADORA1ADORA2ACDK2CCNA2
SCHEMBL3337018 0.80 PIK3CD (0.47) TRIM58ADORA1PIK3CGPIK3CAPIK3CB

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
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 TRIM58 1431/4885SRC 1128/4885MAP4K4 2433/4885

“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.