SCHEMBL3332879

SCHEMBL3332879

Cc1ccc(-c2ccc3nc(N)nc(OCC4CCC4)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.50
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
CDK2 P24941 10/20 0.45
HSP90AB1 P08238 1/20 0.43
CCNA2 P20248 8/20 0.42
NOS2 P35228 1/20 0.41
ADORA2A P29274 1/20 0.41
CCNA1 P78396 6/20 0.41
CDK1 P06493 4/20 0.41
CCNB1 P14635 4/20 0.41
CCNB2 O95067 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
MAPK3 P27361 1/20 0.40
CLK1 P49759 1/20 0.40
CDK5 Q00535 1/20 0.40
PIN1 Q13526 1/20 0.40
MAP3K5 Q99683 1/20 0.40
MAP4K4 O95819 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3337015 0.88 TRIM58 (0.47) TRIM58NOS3NOS1CDK2CCNA2
SCHEMBL3338737 0.88 TRIM58 (0.47) TRIM58NOS3NOS1CDK2CCNA2
SCHEMBL3332960 0.88 TRIM58 (0.48) TRIM58NOS3NOS1CDK2CCNA2
SCHEMBL3334508 0.86 TRIM58 (0.48) TRIM58NOS3NOS1CDK2CCNA2
SCHEMBL3333188 0.84 CDK2 (0.54) TRIM58NOS3NOS1CDK2CCNA2
SCHEMBL3337714 0.83 TRIM58 (0.49) TRIM58NOS3NOS1CDK2CCNA2
SCHEMBL3336052 0.83 TRIM58 (0.49) TRIM58NOS3NOS1CDK2CCNA2
SCHEMBL3336243 0.83 TRIM58 (0.48) TRIM58NOS3NOS1CDK2CCNA2
SCHEMBL3340656 0.83 CDK2 (0.50) TRIM58NOS3NOS1CDK2CCNA2
SCHEMBL3337900 0.83 TRIM58 (0.43) TRIM58NOS3NOS1CDK2CCNA2

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 6 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
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
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 1431/4885NOS3 253/4885NOS1 640/4885

“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.