SCHEMBL1076309

SCHEMBL1076309

O=C(Nc1cccc2ccc(-c3ccccc3)nc12)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.56
▸ PIM1 P11309 1/20 0.52
▸ PIM3 Q86V86 1/20 0.52
▸ PIM2 Q9P1W9 1/20 0.52
▸ HTR6 P50406 2/20 0.52
▸ ADORA1 P30542 8/20 0.50
▸ ADORA2A P29274 6/20 0.50
▸ ADORA3 P0DMS8 5/20 0.50
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ PARP1 P09874 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ULK1 O75385 1/20 0.45
▸ F10 P00742 1/20 0.43

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
SCHEMBL1035428 0.78 PTPN2 (0.53) PLAU
SCHEMBL31098661 0.76 HTR6 (0.60) HTR6ALDH1A1ULK1
SCHEMBL8888959 0.76 PARP1 (0.55) ADORA1ADORA2AADORA3PARP1ALDH1A1
SCHEMBL12753130 0.75 ALDH1A1 (0.51) ADORA1ADORA2AADORA3ALDH1A1
SCHEMBL28411602 0.74 P2RX7 (0.52) PARP1ALDH1A1
SCHEMBL17772324 0.74 PARP1 (0.43) PLAUPIM1PIM2GSK3AGSK3B
SCHEMBL18380148 0.73 GSK3A (0.52) PIM2ADORA1ADORA2AADORA3GSK3A
SCHEMBL17772337 0.72 KDR (0.53) ADORA1ADORA3PARP1ALDH1A1
SCHEMBL31367875 0.72 SIRT2 (0.59) ALDH1A1
SCHEMBL2557090 0.71 KDM4E (0.63) ADORA3PARP1ALDH1A1

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 PLAU 4007/4885PIM1 4218/4885PIM3 4469/4885

“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.

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