SCHEMBL4358121

SCHEMBL4358121

CC(=O)Nc1ccc(-c2ccc3ncnc(N4CCCCC4)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 9/20 0.54
CYP3A4 P08684 9/20 0.54
HIF1A Q16665 4/20 0.54
LMNA P02545 5/20 0.53
MAPK1 P28482 5/20 0.53
USP2 O75604 4/20 0.53
CYP2D6 P10635 4/20 0.53
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.53
CYP1A2 P05177 8/20 0.51
CYP2C19 P33261 2/20 0.51
GFER P55789 1/20 0.51
MAP4K4 O95819 2/20 0.51
ALDH1A1 P00352 5/20 0.51
CYP2C9 P11712 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
AKT1 P31749 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 4/20 0.49

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
SCHEMBL4362417 0.90 CYP3A4 (0.68) CLK4CYP3A4HIF1ALMNAMAPK1
SCHEMBL4355005 0.89 CLK4 (0.69) CLK4CYP3A4HIF1ALMNAMAPK1
SCHEMBL4356104 0.89 ACHE (0.56) CLK4CYP3A4HIF1ALMNAMAPK1
SCHEMBL4357285 0.86 ACHE (0.53) CLK4CYP3A4HIF1ALMNAMAPK1
SCHEMBL4353515 0.83 PIK3R1 (0.54) CYP3A4CYP1A2CYP2C19GFERALDH1A1
SCHEMBL4354005 0.82 APP (0.50) CYP3A4CYP1A2CYP2C19GFERALDH1A1
SCHEMBL4362468 0.80 PDGFRB (0.62) MAP4K4PDGFRB
SCHEMBL3337993 0.79 MAP4K4 (0.58) LMNAMAP4K4ALDH1A1KDM4EMAPT
SCHEMBL4356019 0.79 HTT (0.55) CLK4CYP3A4HIF1ALMNAMAPK1
SCHEMBL4361869 0.79 HTT (0.55) CLK4CYP3A4HIF1ALMNAMAPK1

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-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 CLK4 957/4885CYP3A4 256/4885HIF1A 3429/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CLK4 960/4885CYP3A4 274/4885HIF1A 3109/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CLK4 1192/4885CYP3A4 271/4885HIF1A 3019/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CLK4 1192/4885CYP3A4 271/4885HIF1A 3019/4885

“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.