SCHEMBL1034429

SCHEMBL1034429

O=C(Nc1cccc(CN2CCCC2)n1)c1cccc2ccc(-c3cccnc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.42
GSK3B P49841 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
ACKR3 P25106 1/20 0.39
WNT1 P04628 2/20 0.38
CHRNA7 P36544 1/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ABL1 P00519 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL1073091 0.92 DYRK1A (0.45) DYRK1AGSK3BCDK5CDK5R1ABL1
SCHEMBL1035601 0.85 FGFR4 (0.41) DYRK1AACKR3
SCHEMBL1034330 0.85 ACKR3 (0.38) DYRK1ACDK5CDK5R1ACKR3PARP1
SCHEMBL13187217 0.84 CDK5 (0.42) DYRK1AGSK3BCDK5CDK5R1ACKR3
SCHEMBL1034347 0.81 SMN1; SMN2 (0.47) DYRK1AGSK3BSMN1; SMN2ALDH1A1
SCHEMBL1033505 0.80 DYRK1A (0.46) DYRK1AGSK3BSMN1; SMN2CDK5CDK5R1
SCHEMBL1033357 0.79 KMT2A (0.53) ALDH1A1
SCHEMBL1076632 0.78 CASR (0.41) DYRK1ASMN1; SMN2CDK5CDK5R1ACKR3
SCHEMBL1034842 0.78 SIRT2 (0.51) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL1031026 0.78 ATR (0.57) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP 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
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 DYRK1A 1745/4885GSK3B 936/4885CYP1A2 2055/4885

“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.