SCHEMBL3337291

SCHEMBL3337291

NS(=O)(=O)c1ccc(CNc2nc(O)c3cc(Br)ccc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 19/20 0.52
CA1 P00915 18/20 0.52
CA2 P00918 18/20 0.52
CA12 O43570 8/20 0.51
CA14 Q9ULX7 5/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA5B Q9Y2D0 1/20 0.49

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
SCHEMBL3337810 0.82 APP (0.47) MEN1KMT2A
SCHEMBL3335660 0.81 CA1 (0.58) CA9CA1CA2CA12CA14
SCHEMBL4349843 0.81 CA1 (0.49) CA9CA1CA2CA12CA14
SCHEMBL3335637 0.78 MEN1 (0.44) CA9CA1CA2CA12CA14
SCHEMBL1793560 0.75 CA9 (0.59) CA9CA1CA2CA12CA14
SCHEMBL2863319 0.73 JAK2 (0.46) CA9CA1CA2CA12CA14
SCHEMBL17806636 0.70 CA1 (0.53) CA9CA1CA2CA12CA14
SCHEMBL4573208 0.70 PTGS2 (0.48) CA9CA1CA2CA12CA14
SCHEMBL3338401 0.68 POLB (0.51) MEN1KMT2ARXFP1
SCHEMBL4356999 0.68 PTGS2 (0.47) CA9CA1CA2CA12CA14

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 CA9 1191/4885CA1 3177/4885CA2 1304/4885

“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.