SCHEMBL3337673

SCHEMBL3337673

CCOc1nc(N)nc2ccc(-c3ccc(C(=O)NC(C)(C)C)cc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
RIPK1 Q13546 1/20 0.40
LMNA P02545 1/20 0.38
MCHR1 Q99705 2/20 0.38
MAPT P10636 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HPGDS O60760 1/20 0.37
MMP9 P14780 1/20 0.37
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CHEK2 O96017 1/20 0.36
CDK1 P06493 1/20 0.36
PIM1 P11309 1/20 0.36
RPS6KB1 P23443 1/20 0.36
FLT4 P35916 1/20 0.36

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
SCHEMBL3337573 0.89 JAK2 (0.48) JAK2RIPK1MCHR1MAPTHPGDS
SCHEMBL3338030 0.88 PLK1 (0.46) MCHR1MAPTMMP9MAPK9
SCHEMBL3337208 0.87 CNR2 (0.47) JAK2RIPK1MAP4K4
SCHEMBL3336819 0.87 DHFR (0.39) MCHR1MMP9
SCHEMBL3340058 0.86 IP6K1 (0.45) RIPK1MAP4K4
SCHEMBL3335363 0.85 JAK2 (0.51) JAK2RIPK1LMNAMCHR1MAPT
SCHEMBL3341520 0.84 CHEK2 (0.46) CHEK2MAP4K4
SCHEMBL3334673 0.83 MAPK14 (0.47) RIPK1
SCHEMBL3331769 0.83 KDM4E (0.47) MAPT
SCHEMBL3337998 0.83 HPGD (0.51) MAPTGSK3BDYRK1A

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-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US claimed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US claimed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS 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 (1 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 JAK2 1107/4885RIPK1 2917/4885LMNA 1130/4885

“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.