SCHEMBL3340764

SCHEMBL3340764

COc1nc(NC(C)=O)nc2ccc(-c3ccc(F)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
PIK3CG P48736 2/20 0.43
ADORA3 P0DMS8 3/20 0.42
PIK3CA P42336 3/20 0.42
ADORA2A P29274 1/20 0.42
PIK3R1 P27986 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DHODH Q02127 2/20 0.41
PLA2G2A P14555 1/20 0.41
ADORA1 P30542 1/20 0.41
MAP4K4 O95819 1/20 0.40
ACHE P22303 2/20 0.40
APP P05067 1/20 0.40
RAB9A P51151 1/20 0.40
PDPK1 O15530 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIK3CD O00329 1/20 0.39
MTOR P42345 1/20 0.39
MAPT P10636 1/20 0.39
FGFR1 P11362 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
SCHEMBL3336432 0.89 BRAF (0.48) CYP1A2ADORA3ALDH1A1RAB9ADYRK1A
SCHEMBL3335675 0.87 MAPT (0.41) PIK3CGADORA3PIK3CAADORA2AALDH1A1
SCHEMBL3335966 0.87 ADORA3 (0.40) CYP1A2PIK3CGADORA3PIK3CAADORA2A
SCHEMBL3334908 0.87 ADORA3 (0.40) PIK3CGADORA3PIK3CAADORA2APIK3R1
SCHEMBL3335301 0.87 PIK3CA (0.41) PIK3CGADORA3PIK3CAADORA2AALDH1A1
SCHEMBL3334852 0.87 MAPK14 (0.41) ADORA3PIK3CAADORA2AALDH1A1DHODH
SCHEMBL3336575 0.85 PIK3CG (0.54) CYP1A2PIK3CGADORA3PIK3CAALDH1A1
SCHEMBL3335706 0.85 NAMPT (0.42) CYP1A2ADORA3PIK3CAADORA2AALDH1A1
SCHEMBL3336253 0.84 PTGS1 (0.42) ADORA3PIK3CAADORA2AALDH1A1DHODH
SCHEMBL3341530 0.84 PIK3CA (0.44) PIK3CGADORA3PIK3CAADORA2AALDH1A1

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
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 CYP1A2 231/4885PIK3CG 3210/4885ADORA3 483/4885

“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.