SCHEMBL3334908

SCHEMBL3334908

CC(=O)Nc1nc(OC(C)(C)C)c2cc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.40
ADORA2A P29274 1/20 0.40
PIK3CA P42336 2/20 0.39
ADORA1 P30542 1/20 0.39
MAP4K4 O95819 2/20 0.38
PIK3CG P48736 2/20 0.38
RAB9A P51151 1/20 0.38
PDPK1 O15530 1/20 0.38
DYRK1A Q13627 1/20 0.38
ACHE P22303 3/20 0.37
APP P05067 2/20 0.37
PIK3R1 P27986 1/20 0.37
DHODH Q02127 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3335301 0.91 PIK3CA (0.41) ADORA3ADORA2APIK3CAADORA1MAP4K4
SCHEMBL3336752 0.90 BRAF (0.46) ADORA3ADORA1MAP4K4RAB9AGAA
SCHEMBL3340764 0.87 CYP1A2 (0.43) ADORA3ADORA2APIK3CAADORA1MAP4K4
SCHEMBL3340676 0.84 ACHE (0.50) ADORA3PIK3CAPIK3CGDYRK1AACHE
SCHEMBL3335966 0.84 ADORA3 (0.40) ADORA3ADORA2APIK3CAADORA1MAP4K4
SCHEMBL3335675 0.84 MAPT (0.41) ADORA3ADORA2APIK3CAADORA1MAP4K4
SCHEMBL3341530 0.84 PIK3CA (0.44) ADORA3ADORA2APIK3CAADORA1MAP4K4
SCHEMBL3335706 0.82 NAMPT (0.42) ADORA3ADORA2APIK3CAADORA1MAP4K4
SCHEMBL3333273 0.82 KMT2A (0.47) ADORA3PIK3CAADORA1RAB9ALMNA
SCHEMBL3336253 0.81 PTGS1 (0.42) ADORA3ADORA2APIK3CAADORA1MAP4K4

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 ADORA3 483/4885ADORA2A 1968/4885PIK3CA 2646/4885

“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.