SCHEMBL3334087

SCHEMBL3334087

Fc1ccc(CNc2nc(OC3CCOC3)c3cc(Br)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.41
ELOVL1 Q9BW60 1/20 0.40
PDE2A O00408 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
APP P05067 1/20 0.37
GRM4 Q14833 1/20 0.37
USP10 Q14694 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
USP13 Q92995 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
MAPK1 P28482 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR35 Q9HC97 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3334084 1.00 NTRK1 (0.41) NTRK1ELOVL1PDE2AIRAK4APP
SCHEMBL1790471 0.78 MAP4K4 (0.38) PDE2AGRM4SMN1; SMN2
SCHEMBL14131708 0.78 MAP4K4 (0.38) PDE2AGRM4SMN1; SMN2
SCHEMBL3336024 0.77 EGFR (0.48) NTRK1APPUSP10PIK3C3USP13
SCHEMBL3340857 0.77 IRAK4 (0.43) IRAK4GRM4EGFRHTT
SCHEMBL3338253 0.76 CTNNB1 (0.43) EGFR
SCHEMBL3338256 0.76 CTNNB1 (0.43) EGFR
SCHEMBL3337810 0.73 APP (0.47) NTRK1APPUSP10PIK3C3USP13
SCHEMBL4351514 0.69 CTNNB1 (0.46) NTRK1APPUSP10PIK3C3USP13
SCHEMBL4794362 0.68 NTRK1 (0.44) NTRK1APPUSP10PIK3C3USP13

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 NTRK1 495/4885ELOVL1 3709/4885PDE2A 3761/4885

“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.