SCHEMBL3335280

SCHEMBL3335280

Nc1nc(OCC2CCCO2)c2cc(Br)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
BCHE P06276 5/20 0.41
ACHE P22303 5/20 0.41
GRIN1 Q05586 5/20 0.41
GRIN2A Q12879 5/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
ADORA2A P29274 1/20 0.39
PIK3CA P42336 1/20 0.39
CCR5 P51681 1/20 0.38
GRM4 Q14833 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
SCHEMBL3331706 0.82 CDK2 (0.48) BCHEACHEGRIN1GRIN2AADORA2A
SCHEMBL3333468 0.82 CDK2 (0.44) POLBHTTBCHEACHEGRIN1
SCHEMBL16695693 0.76 POLB (0.41) RXFP1POLBNPSR1ACHEIRAK4
SCHEMBL3340903 0.76 RAB9A (0.53) RXFP1NPSR1ALDH1A1HTTGRM4
SCHEMBL3340899 0.76 RAB9A (0.53) RXFP1NPSR1ALDH1A1HTTGRM4
SCHEMBL4584986 0.76 POLB (0.38) POLBNPSR1ALDH1A1IRAK4
SCHEMBL2621808 0.75 IRAK4 (0.54) RXFP1NPSR1ALDH1A1HTTIRAK4
SCHEMBL3344051 0.75 GRM4 (0.55) RXFP1POLBNPSR1IRAK4GRM4
SCHEMBL22609842 0.74 POLB (0.43) POLBNPSR1IRAK4PIK3CAGRM4
SCHEMBL3337990 0.73 DHFR (0.49) RXFP1ALDH1A1HTTBCHEACHE

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 3 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
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 RXFP1 584/4885POLB 786/4885NPSR1 54/4885

“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.