SCHEMBL3335859

SCHEMBL3335859

CONC(=O)c1ccc(-c2ccc3nc(N)nc(OCC4CC4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.47
MAP4K4 O95819 2/20 0.39
CDK2 P24941 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CHEK2 O96017 2/20 0.37
CNR1 P21554 2/20 0.37
MELK Q14680 5/20 0.37
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
SCN9A Q15858 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL3336878 0.89 TRIM58 (0.46) TRIM58MAP4K4CDK2CNR1ROCK2
SCHEMBL3337208 0.88 CNR2 (0.47) TRIM58MAP4K4CNR1
SCHEMBL3334542 0.88 MEN1 (0.45) TRIM58MAP4K4
SCHEMBL3336243 0.87 TRIM58 (0.48) TRIM58MAP4K4CDK2NOS3NOS1
SCHEMBL3336913 0.87 MAPK14 (0.45) TRIM58MAP4K4CNR1MELK
SCHEMBL3336819 0.86 DHFR (0.39) CSNK2A2CSNK2B
SCHEMBL3336178 0.86 LMNA (0.44) TRIM58MAP4K4CDK2CNR1
SCHEMBL3337431 0.86 TRIM58 (0.44) TRIM58CNR1
SCHEMBL3341492 0.85 ALDH1A1 (0.39) MAP4K4CSNK2A2CSNK2B
SCHEMBL3338257 0.85 LMNA (0.45) TRIM58MAP4K4CDK2CNR1CCNA2

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 1431/4885MAP4K4 2433/4885CDK2 646/4885

“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.