SCHEMBL4356100

SCHEMBL4356100

CC(=O)Nc1nc(N2CCN(c3ccc(C)cc3)CC2)c2cc(-c3ccc(Cl)cc3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.44
LMNA P02545 2/20 0.43
MAPKAPK2 P49137 3/20 0.43
PIK3R1 P27986 2/20 0.43
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
AKT1 P31749 2/20 0.41
EGLN1 Q9GZT9 2/20 0.40
MOK Q9UQ07 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
RAD52 P43351 1/20 0.39
BLM P54132 1/20 0.39
DHODH Q02127 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
SCHEMBL4357572 0.91 PIK3CA (0.52) ADORA3LMNAMAPKAPK2PIK3R1PIK3CA
SCHEMBL4357305 0.90 MAPT (0.46) ADORA3LMNAMAPKAPK2PIK3R1PIK3CA
SCHEMBL4367764 0.88 MTOR (0.49) MAPKAPK2PIK3R1PIK3CAMTORAKT1
SCHEMBL4351226 0.87 PIK3CA (0.57) LMNAMAPKAPK2PIK3R1PIK3CAMTOR
SCHEMBL4353441 0.87 AKT1 (0.47) PIK3R1PIK3CAMTORAKT1EGLN1
SCHEMBL4357956 0.86 EGLN1 (0.48) PIK3R1PIK3CAMTORAKT1EGLN1
SCHEMBL4349968 0.85 ACHE (0.48) ADORA3LMNAPIK3R1PIK3CAMTOR
SCHEMBL4356704 0.83 PIK3R1 (0.45) ADORA3LMNAPIK3R1PIK3CAMTOR
SCHEMBL4355558 0.82 SMN1; SMN2 (0.52) AKT1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL18041199 0.82 LMNA (0.41) ADORA3LMNAMAPKAPK2PIK3R1PIK3CA

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 8 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-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 ADORA3 442/4885LMNA 2251/4885MAPKAPK2 3575/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 ADORA3 659/4885LMNA 2409/4885MAPKAPK2 3670/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 ADORA3 449/4885LMNA 2425/4885MAPKAPK2 3648/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 ADORA3 449/4885LMNA 2425/4885MAPKAPK2 3648/4885

“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.