SCHEMBL3336878

SCHEMBL3336878

CC(C)NC(=O)c1ccc(-c2ccc3nc(N)nc(OCC4CC4)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MAPK14 Q16539 1/20 0.42
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
MAP4K4 O95819 2/20 0.41
MINK1 Q8N4C8 1/20 0.41
TNIK Q9UKE5 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
ACP1 P24666 1/20 0.40
CDK2 P24941 1/20 0.39
CNR2 P34972 6/20 0.39
CNR1 P21554 4/20 0.39
XDH P47989 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 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
SCHEMBL3336913 0.90 MAPK14 (0.45) TRIM58MAPK14MAP4K4ACP1CNR2
SCHEMBL3335859 0.89 TRIM58 (0.47) TRIM58MAP4K4CDK2CNR1ROCK2
SCHEMBL3336243 0.88 TRIM58 (0.48) TRIM58MAP4K4ACP1CDK2CNR1
SCHEMBL3337208 0.87 CNR2 (0.47) TRIM58MAP4K4CNR2CNR1
SCHEMBL3336178 0.87 LMNA (0.44) TRIM58MAPK14MAP4K4CDK2CNR2
SCHEMBL3334542 0.87 MEN1 (0.45) TRIM58MAPK14MAP4K4BACE1
SCHEMBL3340058 0.87 IP6K1 (0.45) IP6K1IP6K3IP6K2MAP4K4MINK1
SCHEMBL3338257 0.87 LMNA (0.45) TRIM58MAPK14MAP4K4CDK2CNR1
SCHEMBL3336010 0.86 IP6K1 (0.44) IP6K1IP6K3IP6K2MAP4K4MINK1
SCHEMBL3337431 0.85 TRIM58 (0.44) TRIM58MAPK14CNR1BACE1

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 1431/4885PDE4A 2788/4885PDE4B 2980/4885

“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.