SCHEMBL1033967

SCHEMBL1033967

O=C(Nc1cccc(CN2CCCC2)c1)c1cccc2ccc(-c3cccc(C(F)F)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 10/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
NTRK1 P04629 1/20 0.42
USP7 Q93009 1/20 0.42
MCHR1 Q99705 3/20 0.42
MET P08581 1/20 0.42
AURKA O14965 3/20 0.41
RPS6KB1 P23443 3/20 0.41
AURKB Q96GD4 2/20 0.41
HTR2C P28335 2/20 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
SCHEMBL1077034 0.93 LMNA (0.46) ACKR3AURKARPS6KB1AURKB
SCHEMBL1035270 0.86 PDCD1 (0.47) MCHR1HTR2C
SCHEMBL1033470 0.86 MCHR1 (0.41) MCHR1HTR2C
SCHEMBL1076406 0.85 NPC1 (0.54)
SCHEMBL1034330 0.84 ACKR3 (0.38) ACKR3CDK5CDK5R1MCHR1HTR2C
SCHEMBL1034837 0.82 ALK (0.39) ACKR3
SCHEMBL1034576 0.82 SMN1; SMN2 (0.43)
SCHEMBL1076860 0.81 CNR2 (0.55)
SCHEMBL1076689 0.79 FGFR3 (0.47) MCHR1AURKARPS6KB1AURKB
SCHEMBL1031619 0.78 SIRT2 (0.50)

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 ACKR3 4172/4885CDK5 515/4885CDK5R1 710/4885

“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.