SCHEMBL3334508

SCHEMBL3334508

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.48
CDK2 P24941 6/20 0.46
CCNA2 P20248 5/20 0.46
CCNA1 P78396 4/20 0.46
MAP4K4 O95819 1/20 0.45
HRH4 Q9H3N8 1/20 0.42
KDM1A O60341 3/20 0.42
PDPK1 O15530 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CCNB2 O95067 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
MEN1 O00255 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
ATR Q13535 1/20 0.40
MAOB P27338 1/20 0.40
AKT1 P31749 1/20 0.40
NOS3 P29474 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
SCHEMBL3336480 0.90 TRIM58 (0.48) TRIM58CDK2CCNA2CCNA1MAP4K4
SCHEMBL3337015 0.86 TRIM58 (0.47) TRIM58CDK2CCNA2CCNA1MAP4K4
SCHEMBL3332879 0.86 TRIM58 (0.50) TRIM58CDK2CCNA2CCNA1MAP4K4
SCHEMBL3338737 0.86 TRIM58 (0.47) TRIM58CDK2CCNA2CCNA1MAP4K4
SCHEMBL3332960 0.86 TRIM58 (0.48) TRIM58CDK2CCNA2CCNA1MAP4K4
SCHEMBL3337714 0.81 TRIM58 (0.49) TRIM58CDK2CCNA2CCNA1MAP4K4
SCHEMBL3336052 0.81 TRIM58 (0.49) TRIM58CDK2CCNA2CCNA1MAP4K4
SCHEMBL3340656 0.81 CDK2 (0.50) TRIM58CDK2CCNA2CCNA1CDK1
SCHEMBL3337900 0.81 TRIM58 (0.43) TRIM58CDK2CCNA2CCNA1HRH4
SCHEMBL3336357 0.81 TRIM58 (0.43) TRIM58CDK2CCNA2CCNA1MAP4K4

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 1431/4885CDK2 646/4885CCNA2 1164/4885

“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.