SCHEMBL3335665

SCHEMBL3335665

COc1nc(N)nc2ccc(-c3ccc(F)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.47
MTOR P42345 4/20 0.47
MAP4K4 O95819 2/20 0.47
ADORA2A P29274 2/20 0.47
SCN9A Q15858 1/20 0.44
DHFR P00374 4/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NT5E P21589 1/20 0.40
PIK3CD O00329 2/20 0.39
SQOR Q9Y6N5 1/20 0.39
DHODH Q02127 1/20 0.39
APP P05067 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
SCHEMBL3337499 0.85 ADORA2A (0.47) PIK3CAMTORMAP4K4ADORA2ASCN9A
SCHEMBL3337583 0.85 MAP4K4 (0.47) PIK3CAMTORMAP4K4ADORA2ASCN9A
SCHEMBL3338126 0.85 MAP4K4 (0.43) PIK3CAMTORMAP4K4ADORA2ASCN9A
SCHEMBL3336135 0.84 SQOR (0.46) PIK3CAMTORMAP4K4ADORA2ASCN9A
SCHEMBL3340699 0.83 ADORA2A (0.48) PIK3CAMTORMAP4K4ADORA2ASCN9A
SCHEMBL3335372 0.82 ADORA2A (0.45) PIK3CAMTORMAP4K4ADORA2ASCN9A
SCHEMBL3336355 0.82 DHFR (0.53) PIK3CADHFRPDGFRBPDGFRAPIK3CD
SCHEMBL3336378 0.81 SCN9A (0.47) PIK3CAMTORMAP4K4ADORA2ASCN9A
SCHEMBL3337266 0.80 SLC2A1 (0.42) PIK3CAMTORMAP4K4ADORA2ASCN9A
SCHEMBL22745025 0.80 ADORA2A (0.50) PIK3CAMTORMAP4K4ADORA2ASCN9A

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 PIK3CA 2646/4885MTOR 3038/4885MAP4K4 2433/4885

“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.