SCHEMBL3340124

SCHEMBL3340124

Cc1cc(C)cc(-c2ccc3nc(N)nc(OCCCN(C)C)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
NUDT1 P36639 1/20 0.40
PIM1 P11309 2/20 0.40
HSP90AB1 P08238 1/20 0.38
SYK P43405 1/20 0.37
LSS P48449 1/20 0.37
ATM Q13315 2/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 2/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL3337194 0.86 TOP2A (0.41) TOP2AHRH3NUDT1PIM1LSS
SCHEMBL3341480 0.86 HRH3 (0.50) TOP2AHRH3NUDT1PIM1HSP90AB1
SCHEMBL3336783 0.82 HRH3 (0.42) TOP2AHRH3NUDT1PIM1HSP90AB1
SCHEMBL3335376 0.81 ADORA2A (0.42) TOP2AHRH3NUDT1PIM1LSS
SCHEMBL3335114 0.81 TOP2A (0.46) TOP2AHRH3NUDT1PIM1TLR8
SCHEMBL3335084 0.79 HRH3 (0.43) TOP2AHRH3NUDT1PIM1HSP90AB1
SCHEMBL5139806 0.79 TOP2A (0.39) TOP2AHRH3NUDT1PIM1ATM
SCHEMBL3336663 0.78 BCHE (0.46) TOP2ANUDT1TLR7
SCHEMBL3340191 0.76 ALOX5AP (0.41) TOP2ANUDT1PIM1PIM3
SCHEMBL3333821 0.76 HSP90AB1 (0.47) HSP90AB1

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 TOP2A 1103/4885HRH3 96/4885NUDT1 998/4885

“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.