SCHEMBL13620919

SCHEMBL13620919

Cc1cccc(Nc2nc(N)nc3ccc(Br)cc23)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
EGFR P00533 8/20 0.61
ERBB2 P04626 2/20 0.54
MAPT P10636 2/20 0.51
ABCB1 P08183 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
TP53 P04637 1/20 0.51
PDGFRB P09619 1/20 0.51
KDR P35968 2/20 0.50
FLT1 P17948 1/20 0.50
SLC2A1 P11166 1/20 0.48
ADRB2 P07550 1/20 0.48

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
SCHEMBL13631917 0.86 EGFR (0.53) MAPK1EGFRERBB2MAPTABCB1
SCHEMBL14992584 0.85 MAPT (0.69) EGFRERBB2MAPTABCB1SMN1; SMN2
SCHEMBL13620920 0.83 MAPT (0.53) MAPK1EGFRERBB2MAPTABCB1
SCHEMBL4353506 0.82 EGFR (0.56) MAPK1EGFRERBB2ABCB1ABCG2
SCHEMBL4360337 0.82 EGFR (0.56) MAPK1EGFRERBB2ABCB1ABCG2
SCHEMBL4349835 0.81 EGFR (0.58) MAPK1EGFRERBB2ABCB1ABCG2
SCHEMBL4065873 0.81 MAPK1 (0.51) MAPK1EGFRERBB2MAPTABCB1
SCHEMBL4367927 0.80 EGFR (0.56) MAPK1EGFRERBB2ABCB1ABCG2
SCHEMBL4351132 0.80 EGFR (0.53) MAPK1EGFRERBB2ABCB1ABCG2
SCHEMBL4362457 0.79 EGFR (0.55) MAPK1EGFRERBB2ABCB1ABCG2

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-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES 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 (4 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-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 MAPK1 2366/4885EGFR 2581/4885ERBB2 2249/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 MAPK1 2279/4885EGFR 1831/4885ERBB2 1669/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 MAPK1 2130/4885EGFR 1826/4885ERBB2 1782/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 MAPK1 2130/4885EGFR 1826/4885ERBB2 1782/4885

“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.