SCHEMBL5509675

SCHEMBL5509675

Cn1ccnc1-c1nccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
HTR2A P28223 1/20 0.50
CYP2A6 P11509 1/20 0.50
BRD4 O60885 1/20 0.49
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CASP1 P29466 3/20 0.47
CASP7 P55210 3/20 0.47
HSD17B10 Q99714 3/20 0.47
F12 P00748 1/20 0.46
PLAU P00749 1/20 0.46
NCF1 P14598 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL6910692 0.81 CYP2A6 (0.47) HTR2CHTR2ACYP2A6KDM4EL3MBTL1
SCHEMBL5486071 0.78 HTR2C (0.66) HTR2CHTR2ACYP2A6BRD4KDM4E
SCHEMBL14077080 0.75 CYP2A6 (0.49) HTR2CCYP2A6KDM4EL3MBTL1CASP1
SCHEMBL199273 0.75 PLAU (0.60) HTR2CCYP2A6KDM4EL3MBTL1CASP1
SCHEMBL29923403 0.75 PLAU (0.60) HTR2CCYP2A6KDM4EL3MBTL1CASP1
SCHEMBL5489717 0.75 HTR2C (0.51) HTR2CHTR2ACYP2A6BRD4KDM4E
SCHEMBL14094669 0.74 KDM4E (0.51) HTR2CHTR2ABRD4KDM4EL3MBTL1
SCHEMBL30522769 0.73 PLAU (0.58) HTR2CHTR2ACYP2A6KDM4EL3MBTL1
SCHEMBL5488396 0.73 HTR2C (0.60) HTR2CHTR2ACYP2A6BRD4KDM4E
SCHEMBL19275968 0.73 MEN1 (0.53) CYP2A6KDM4EHSD17B10NPC1RAB9A

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-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
EP-1851218-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 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 (3 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E HTR2C 4521/4885HTR2A 4444/4885CYP2A6 4377/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E HTR2C 4540/4885HTR2A 4454/4885CYP2A6 4421/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E HTR2C 4540/4885HTR2A 4454/4885CYP2A6 4421/4885

“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.