SCHEMBL4356019

SCHEMBL4356019

Fc1ccc(-c2ccc3ncnc(N4CCCCC4)c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
MAP4K4 O95819 1/20 0.55
CYP3A4 P08684 13/20 0.54
CYP1A2 P05177 11/20 0.54
CYP2D6 P10635 8/20 0.54
CYP2C19 P33261 5/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
CLK4 Q9HAZ1 11/20 0.52
ALDH1A1 P00352 6/20 0.52
LMNA P02545 6/20 0.52
HIF1A Q16665 5/20 0.52
MAPK1 P28482 5/20 0.52
USP2 O75604 6/20 0.51
HSD17B10 Q99714 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
THRB P10828 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL4357245 0.86 CLK4 (0.70) HTTMAP4K4CYP3A4CYP1A2CYP2D6
SCHEMBL4351539 0.86 CYP3A4 (0.68) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4361869 0.86 HTT (0.55) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4358134 0.82 ACHE (0.61) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4354995 0.81 ACHE (0.58) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL1675322 0.79 CLK4 (0.78) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4363770 0.79 GAK (0.64) CYP3A4CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL4358121 0.79 CLK4 (0.54) MAP4K4CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4356738 0.78 HRH4 (0.51)
SCHEMBL3114664 0.78 CYP1A2 (0.54) MAP4K4CYP3A4CYP1A2CYP2D6CYP2C19

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 4 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-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 (2 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 HTT 2808/4885MAP4K4 1801/4885CYP3A4 256/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 HTT 2522/4885MAP4K4 1921/4885CYP3A4 274/4885

“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.