SCHEMBL3336783

SCHEMBL3336783

CN(C)CCCOc1nc(N)nc2ccc(-c3ccc(F)c(Cl)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
EGFR P00533 2/20 0.41
TOP2A P11388 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
HSP90AB1 P08238 1/20 0.38
NUDT1 P36639 1/20 0.38
PIM1 P11309 1/20 0.38
TSPO P30536 1/20 0.37
PAICS P22234 1/20 0.37
PIK3CA P42336 1/20 0.36
CXCR1 P25024 1/20 0.35
MELK Q14680 1/20 0.35
ATM Q13315 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
SCHEMBL3341480 0.89 HRH3 (0.50) HRH3TOP2AHSP90AB1NUDT1PIM1
SCHEMBL3337194 0.87 TOP2A (0.41) HRH3TOP2AADORA2AADORA1NUDT1
SCHEMBL3335084 0.84 HRH3 (0.43) HRH3TOP2AHSP90AB1NUDT1PIM1
SCHEMBL5139806 0.84 TOP2A (0.39) HRH3TOP2AADORA2AADORA1NUDT1
SCHEMBL3340124 0.82 TOP2A (0.43) HRH3TOP2AHSP90AB1NUDT1PIM1
SCHEMBL3335376 0.79 ADORA2A (0.42) HRH3TOP2AADORA2AADORA1NUDT1
SCHEMBL3335114 0.77 TOP2A (0.46) HRH3TOP2AADORA2ANUDT1PIM1
SCHEMBL3331084 0.77 TRIM58 (0.42) ADORA2AADORA1PIK3CA
SCHEMBL3335310 0.75 PIK3CA (0.39) ADORA2AHSP90AB1PIK3CA
SCHEMBL3340191 0.75 ALOX5AP (0.41) TOP2AADORA2AADORA1NUDT1PIM1

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 HRH3 96/4885EGFR 1483/4885TOP2A 1103/4885

“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.