SCHEMBL4353200

SCHEMBL4353200

CC(=O)Nc1nc(N2CCCCC2)c2cc(Br)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 4/20 0.47
PIK3CA P42336 4/20 0.47
MTOR P42345 4/20 0.47
APP P05067 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
NPY5R Q15761 1/20 0.43
CYP3A4 P08684 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DYRK1A Q13627 1/20 0.42
HTT P42858 2/20 0.41
PTGFR P43088 4/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL4355347 0.89 HTT (0.55) PIK3R1PIK3CAMTORAPPPOLB
SCHEMBL4355664 0.88 PIK3CA (0.61) PIK3R1PIK3CAMTORACHEGAA
SCHEMBL4357991 0.88 NPC1 (0.52) PIK3R1PIK3CAMTORACHEPOLB
SCHEMBL4356704 0.85 PIK3R1 (0.45) PIK3R1PIK3CAMTORAPPACHE
SCHEMBL4353515 0.82 PIK3R1 (0.54) PIK3R1PIK3CAMTORAPPBCHE
SCHEMBL4357385 0.81 EGLN1 (0.48) PIK3R1PIK3CAMTORAPPBCHE
SCHEMBL4357956 0.81 EGLN1 (0.48) PIK3R1PIK3CAMTORAPPBCHE
SCHEMBL4356715 0.79 PIK3CD (0.50) PIK3CAAPPACHEPOLBMAPT
SCHEMBL4358275 0.79 FAAH (0.49) POLBMAPTCYP3A4CYP1A2CYP2C19
SCHEMBL3338401 0.78 POLB (0.51) APPACHEPOLBMAPTGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US claimed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US claimed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US claimed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US claimed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US claimed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 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 (4 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-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 PIK3R1 3188/4885PIK3CA 3986/4885MTOR 4127/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 PIK3R1 3028/4885PIK3CA 4078/4885MTOR 3664/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 PIK3R1 2674/4885PIK3CA 3799/4885MTOR 3470/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 PIK3R1 2674/4885PIK3CA 3799/4885MTOR 3470/4885

“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.