SCHEMBL3117686

SCHEMBL3117686

O=c1nc(-c2ccncc2)c2cc(Br)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CASP1 P29466 1/20 0.54
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
CHUK O15111 1/20 0.49
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
CSF1R P07333 2/20 0.45
FLT3 P36888 2/20 0.45
CLK2 P49760 2/20 0.45
MAP4K2 Q12851 2/20 0.45
DYRK1A Q13627 2/20 0.45
NTRK3 Q16288 2/20 0.45
AURKB Q96GD4 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45

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
SCHEMBL11605848 0.88 KDM4E (0.69) KDM4EHSD17B10NPSR1KMT2AMEN1
SCHEMBL28022669 0.80 HSD17B10 (0.78) KDM4EHSD17B10NPSR1KMT2AMEN1
SCHEMBL5026927 0.79 MEN1 (0.65) KDM4EHSD17B10NPSR1KMT2AMEN1
SCHEMBL5222437 0.79 CTSV (0.47) KDM4EHSD17B10NPSR1KMT2AMEN1
SCHEMBL2731639 0.76 FLT3 (0.75) CHUKPRKD3MAP4K4CSF1RFLT3
SCHEMBL12281523 0.74 JAK2 (0.56) HSD17B10KMT2AMEN1HPGDALDH1A1
SCHEMBL6919910 0.72 MAPK14 (0.51) HSD17B10NPSR1KMT2AMEN1HPGD
SCHEMBL17367218 0.72 KDM4E (0.73) KDM4EHSD17B10NPSR1KMT2AMEN1
SCHEMBL25262114 0.71 LMNA (0.44) HSD17B10KMT2AMEN1HPGDALDH1A1
SCHEMBL21812474 0.71 CHUK (0.50) NPSR1ALDH1A1CHUKPRKD3MAP4K4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-2167092-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
WO-2008157191-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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 (2 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-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 KDM4E 3849/4885HSD17B10 4687/4885NPSR1 1913/4885
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 KDM4E 3849/4885HSD17B10 4687/4885NPSR1 1913/4885

“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.