SCHEMBL4362476

SCHEMBL4362476

Cc1ccc(-c2ccc3ncnc(NCCC(C)C)c3c2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.50
CLK4 Q9HAZ1 11/20 0.49
CLK1 P49759 2/20 0.49
DYRK1A Q13627 1/20 0.49
MAP4K4 O95819 1/20 0.47
CYP1A2 P05177 10/20 0.46
ALDH1A1 P00352 9/20 0.46
CYP3A4 P08684 8/20 0.46
HSD17B10 Q99714 8/20 0.46
CYP2C19 P33261 7/20 0.46
CYP2D6 P10635 6/20 0.46
TSHR P16473 4/20 0.46
MAPK1 P28482 3/20 0.46
ALOX15 P16050 2/20 0.46
HTT P42858 2/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
USP2 O75604 4/20 0.44
LMNA P02545 4/20 0.43
HIF1A Q16665 3/20 0.43

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
SCHEMBL4362968 0.89 MAP4K4 (0.54) CD38CLK4MAP4K4CYP1A2ALDH1A1
SCHEMBL4349941 0.89 CD38 (0.48) CD38CLK4CLK1MAP4K4CYP1A2
SCHEMBL4353561 0.87 CD38 (0.47) CD38CLK4CLK1MAP4K4CYP1A2
SCHEMBL4357133 0.86 CD38 (0.46) CD38CLK4CLK1MAP4K4CYP1A2
SCHEMBL4366604 0.84 CLK4 (0.53) CD38CLK4CLK1MAP4K4CYP1A2
SCHEMBL4366589 0.82 LMNA (0.45) CD38CLK4MAP4K4CYP1A2ALDH1A1
SCHEMBL4355879 0.81 IRAK4 (0.53) CD38CLK4CLK1MAP4K4CYP1A2
SCHEMBL4355900 0.81 MAP4K4 (0.60) CLK4MAP4K4CYP1A2ALDH1A1CYP3A4
SCHEMBL4353257 0.80 CLK4 (0.49) CLK4CLK1MAP4K4CYP1A2ALDH1A1
SCHEMBL4360637 0.80 MAP4K4 (0.51) CD38CLK4CLK1DYRK1AMAP4K4

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 7 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
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
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
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES 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 (3 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 CD38 908/4885CLK4 957/4885CLK1 2890/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CD38 908/4885CLK4 957/4885CLK1 2890/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CD38 752/4885CLK4 960/4885CLK1 2973/4885

“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.