SCHEMBL3337103

SCHEMBL3337103

CN(C)CCNc1ncc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 1/20 0.52
PCSK9 Q8NBP7 1/20 0.50
PDE10A Q9Y233 1/20 0.49
GAA P10253 1/20 0.49
ALPG P10696 1/20 0.49
CYP2C19 P33261 1/20 0.49
NCF1 P14598 2/20 0.48
TOP2A P11388 1/20 0.48
SLC2A1 P11166 2/20 0.46
EGFR P00533 1/20 0.46
SCN9A Q15858 1/20 0.45
DNM2 P50570 2/20 0.45
TLR9 Q9NR96 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
APOBEC3A P31941 1/20 0.44
RAD52 P43351 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7683833 0.83 FDPS (0.56) FDPSPCSK9PDE10ASLC2A1
SCHEMBL27485928 0.81 TLR8 (0.54) FDPSPCSK9PDE10AEGFRNPC1
SCHEMBL14568526 0.80 BRAF (0.43) MKNK1MKNK2NCF1EGFRDNM2
SCHEMBL29924736 0.80 CYP2C19 (0.49) MKNK1MKNK2CYP2C19EGFRDNM2
SCHEMBL27857085 0.80 PCSK9 (0.55) FDPSPCSK9PDE10AGAACYP2C19
SCHEMBL28798228 0.79 PCSK9 (0.56) FDPSPCSK9PDE10ACYP2C19
SCHEMBL2578318 0.79 FDPS (0.52) FDPSPCSK9PDE10ADNM2
SCHEMBL5505032 0.79 EGFR (0.53) MKNK1MKNK2EGFRDNM2
SCHEMBL14724660 0.79 BRAF (0.42) MKNK1MKNK2GAAALPGCYP2C19
SCHEMBL27343105 0.79 RAD52 (0.44) FDPSPCSK9PDE10AGAAALPG

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 2 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 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

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 FDPS 3754/4885MKNK1 3326/4885MKNK2 3288/4885

“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.