SCHEMBL3337046

SCHEMBL3337046

Nc1nc(OCC2CCC2)c2cc(-c3cccnc3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.47
ATM Q13315 5/20 0.45
KCNH2 Q12809 4/20 0.45
ATR Q13535 4/20 0.45
CDK2 P24941 3/20 0.44
DHFR P00374 1/20 0.44
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
CCNA2 P20248 2/20 0.40
CCNA1 P78396 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 5/20 0.39
CLK4 Q9HAZ1 3/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 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
SCHEMBL3332879 0.82 TRIM58 (0.50) TRIM58ATRCDK2CCNA2CCNA1
SCHEMBL3338737 0.82 TRIM58 (0.47) TRIM58ATRCDK2CCNA2CCNA1
SCHEMBL3337015 0.82 TRIM58 (0.47) TRIM58ATRCDK2CCNA2CCNA1
SCHEMBL3336480 0.82 TRIM58 (0.48) TRIM58CDK2CCNA2CCNA1CYP1A2
SCHEMBL3340656 0.82 CDK2 (0.50) TRIM58CDK2CCNA2CCNA1
SCHEMBL3338234 0.81 TRIM58 (0.48) TRIM58CDK2CCNA2CCNA1CYP1A2
SCHEMBL3334508 0.81 TRIM58 (0.48) TRIM58ATRCDK2CCNA2CCNA1
SCHEMBL3332960 0.80 TRIM58 (0.48) TRIM58ATRCDK2CCNA2CCNA1
SCHEMBL3337900 0.80 TRIM58 (0.43) TRIM58CDK2CCNA2CCNA1CYP1A2
SCHEMBL3336357 0.80 TRIM58 (0.43) TRIM58ATRCDK2CCNA2CCNA1

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 5 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

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 1431/4885ATM 4820/4885KCNH2 712/4885

“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.