SCHEMBL3373442

SCHEMBL3373442

O=C(c1cc(Br)ccc1O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
HSP90AA1 P07900 4/20 0.57
HSP90AB1 P08238 3/20 0.54
CES2 O00748 1/20 0.51
GALR3 O60755 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
ERN1 O75460 1/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
SLC6A5 Q9Y345 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
SCHEMBL30073400 0.88 HSP90AA1 (0.57) RAB9AHSP90AA1HSP90AB1HPGDKMT2A
SCHEMBL17749695 0.88 HSP90AA1 (0.57) RAB9AHSP90AA1HSP90AB1HPGDKMT2A
SCHEMBL5255412 0.87 RAB9A (0.61) RAB9AKMT2AMAPTERN1GAA
SCHEMBL16379735 0.83 MAPT (0.57) RAB9AKMT2AMAPTGAANPC1
SCHEMBL3374261 0.83 RAB9A (0.60) RAB9AKMT2AMAPTERN1GAA
SCHEMBL29717082 0.83 RAB9A (0.57) RAB9AHPGDKMT2AMAPTGAA
SCHEMBL3911968 0.82 RAB9A (0.59) RAB9AKMT2AMAPTERN1GAA
SCHEMBL487452 0.81 HSP90AA1 (0.57) RAB9AHSP90AA1HSP90AB1HPGDMAPT
SCHEMBL17774880 0.81 HSP90AA1 (0.57) RAB9AHSP90AA1HSP90AB1CYP2C9HPGD
SCHEMBL487433 0.81 KDM4E (0.75) RAB9AHSP90AA1HSP90AB1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7829558-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
EP-2239262-A2 Fused ring heterocycle kinase modulators SGX Pharmaceuticals, Inc. (US) 2010-10-13 EP disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
EP-2134179-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-20090203687-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-7452993-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
EP-1778687-A2 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
US-20060035898-A1 Fused ring heterocycle kinase modulators STRUCTURAL GENOMIX, INC. (US) 2006-02-16 US disclosed
WO-2006015124-A2 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2006-02-09 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-20060035898-A1 Fused ring heterocycle kinase modulators MAP3K20, TTK, MAP3K19 RAB9A 1494/4885HSP90AA1 1683/4885HSP90AB1 1297/4885
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 RAB9A 1494/4885HSP90AA1 1683/4885HSP90AB1 1297/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 RAB9A 1494/4885HSP90AA1 1683/4885HSP90AB1 1297/4885
US-20090203687-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 RAB9A 1494/4885HSP90AA1 1683/4885HSP90AB1 1297/4885

“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.