SCHEMBL3336361

SCHEMBL3336361

CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(OCCN4CCOCC4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 10/20 0.51
PIK3CA P42336 3/20 0.48
KDM4E B2RXH2 1/20 0.46
JAK2 O60674 1/20 0.46
GRM4 Q14833 1/20 0.46
NTRK1 P04629 1/20 0.46
FLT3 P36888 1/20 0.46
MTOR P42345 3/20 0.46
PIK3R1 P27986 1/20 0.46

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
SCHEMBL3334893 0.92 MAPK14 (0.49) MOKPIK3CAGRM4
SCHEMBL3339873 0.90 MOK (0.50) MOKPIK3CAKDM4EJAK2GRM4
SCHEMBL3339979 0.89 KIT (0.48) PIK3CAKDM4E
SCHEMBL3337697 0.87 USP2 (0.51) MOKPIK3CAKDM4EJAK2GRM4
SCHEMBL5146071 0.83 MAP3K11 (0.45) PIK3CA
SCHEMBL3339894 0.82 BRAF (0.47) MOKKDM4E
SCHEMBL3336288 0.81 MOK (0.47) MOKKDM4EGRM4
SCHEMBL3336607 0.81 BRAF (0.46) MOKKDM4E
SCHEMBL3331750 0.80 TTK (0.48) MOKKDM4E
SCHEMBL4362437 0.80 MTOR (0.69) MOKPIK3CAMTORPIK3R1

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 5 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
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 disclosed
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 disclosed
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 MOK 1798/4885PIK3CA 2646/4885KDM4E 3125/4885

“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.