SCHEMBL3335313

SCHEMBL3335313

Nc1nc(OCC2CC2)c2cc(-c3ccc(C(=O)NCc4ccccc4)cc3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
MAPK1 P28482 3/20 0.48
TRIM58 Q8NG06 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRKCG P05129 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AKT1 P31749 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
PRKX P51817 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKG2 Q13237 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL3336632 0.87 HPGD (0.45) MAPK1TRIM58TP53CYP2C9CYP2C19
SCHEMBL3337189 0.87 MAPK1 (0.52) MAPK1ROCK2RPS6KA5MAP4K4PRKCG
SCHEMBL3336913 0.85 MAPK14 (0.45) TRIM58MAP4K4GSK3BDYRK1A
SCHEMBL3340888 0.85 MAPK1 (0.50) MAPK1ROCK2RPS6KA5MAP4K4PRKCG
SCHEMBL3335859 0.85 TRIM58 (0.47) TRIM58ROCK2MAP4K4AKT1NR1H4
SCHEMBL3334542 0.85 MEN1 (0.45) TRIM58MAP4K4CYP2C9
SCHEMBL3337431 0.84 TRIM58 (0.44) TRIM58CYP2C19
SCHEMBL3336878 0.84 TRIM58 (0.46) PDE4APDE4BPDE4CPDE4DTRIM58
SCHEMBL3341434 0.84 MELK (0.46) TRIM58MAP4K4TP53HDAC1
SCHEMBL3336207 0.84 NPC1 (0.51) TRIM58EGFR

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 4 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
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 PDE4A 2788/4885PDE4B 2980/4885PDE4C 3641/4885

“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.