SCHEMBL3336663

SCHEMBL3336663

CN(C)CCCOc1nc(N)nc2ccc(-c3cc4ccccc4o3)cc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.46
CNR1 P21554 1/20 0.46
ACHE P22303 1/20 0.46
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 8/20 0.43
PTPN1 P18031 1/20 0.42
TOP2A P11388 1/20 0.42
TLR7 Q9NYK1 2/20 0.41
NUDT1 P36639 1/20 0.40

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
SCHEMBL3336794 0.87 KDM4E (0.40) BCHECNR1ACHEHSD17B10
SCHEMBL3338187 0.79 MEN1 (0.47) BCHEACHESIGMAR1TOP2A
SCHEMBL3331728 0.79 ALOX5 (0.41) HSD17B10PTPN1
SCHEMBL3334827 0.78 TRIM58 (0.43)
SCHEMBL3341480 0.78 HRH3 (0.50) ACHETOP2ANUDT1
SCHEMBL3340124 0.78 TOP2A (0.43) TOP2ATLR7NUDT1
SCHEMBL3337194 0.76 TOP2A (0.41) TOP2ATLR7NUDT1
SCHEMBL3335376 0.75 ADORA2A (0.42) TOP2ANUDT1
SCHEMBL3335114 0.75 TOP2A (0.46) TOP2ANUDT1
SCHEMBL3336783 0.74 HRH3 (0.42) TOP2ANUDT1

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 5 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

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 BCHE 3873/4885CNR1 62/4885ACHE 3590/4885

“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.