SCHEMBL1034598

SCHEMBL1034598

CS(=O)(=O)c1cccc(-c2ccc3cccc(NCc4cccnc4)c3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.50
PI4KB Q9UBF8 1/20 0.46
JAK2 O60674 1/20 0.45
PTK2 Q05397 1/20 0.45
BACE1 P56817 1/20 0.44
NAMPT P43490 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
IDO1 P14902 1/20 0.43
MEN1 O00255 1/20 0.43
KIT P10721 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
TSHR P16473 3/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL1035493 0.87 KMT2A (0.50) BACE1HDAC6KMT2AMAPTMEN1
SCHEMBL1035314 0.81 ADRA2C (0.49) BACE1HDAC6KMT2AMAPTMEN1
SCHEMBL1033950 0.80 CYP3A4 (0.53) VNN1BACE1HDAC6ALDH1A1CYP1A2
SCHEMBL1032557 0.77 CYP3A4 (0.55) BACE1NAMPTKMT2AMEN1KIT
SCHEMBL1203199 0.77 JAK2 (0.46) JAK2PTK2BACE1HDAC6MAPT
SCHEMBL1076858 0.76 CLK4 (0.67) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1035586 0.75 VNN1 (0.48) VNN1NAMPTKMT2AMAPTMEN1
SCHEMBL1204069 0.75 CYP3A4 (0.53) VNN1HDAC6KMT2AMAPTMEN1
SCHEMBL1031075 0.75 PIK3CA (0.54) JAK2PTK2NAMPTCYP1A2CYP3A4
SCHEMBL2854358 0.74 VNN1 (0.63) VNN1NAMPTKMT2AMAPTMEN1

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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 VNN1 2303/4885PI4KB 2509/4885JAK2 1125/4885

“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.