SCHEMBL3336054

SCHEMBL3336054

CC(C)CNC(=O)c1ccc(-c2ccc3nc(N)nc(OCCO)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HDAC4 P56524 1/20 0.40
DYRK1A Q13627 2/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MAPK14 Q16539 1/20 0.39
BRAF P15056 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
MLYCD O95822 1/20 0.38
RAF1 P04049 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL3338723 0.94 HDAC4 (0.41) HPGDNPSR1KDM4EHDAC4DYRK1A
SCHEMBL3337998 0.91 HPGD (0.51) HPGDNPSR1KDM4EHDAC4DYRK1A
SCHEMBL3336010 0.89 IP6K1 (0.44) POLB
SCHEMBL3337836 0.88 KDM4E (0.42) HPGDNPSR1KDM4EHDAC4DYRK1A
SCHEMBL3336913 0.87 MAPK14 (0.45) HPGDNPSR1KDM4EHDAC4DYRK1A
SCHEMBL3341492 0.85 ALDH1A1 (0.39) ALDH1A1BRAFPOLBHSD17B10RAF1
SCHEMBL3337671 0.83 IP6K1 (0.43) HDAC4POLB
SCHEMBL3332984 0.81 MEN1 (0.46) MAPK14KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL3334266 0.81 PIK3CA (0.42) GSK3BALDH1A1BRAFHSD17B10
SCHEMBL3336517 0.80 NAMPT (0.42) HPGDKDM4EALDH1A1GAABRAF

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-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
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 HPGD 3242/4885NPSR1 54/4885KDM4E 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.