SCHEMBL3575066

SCHEMBL3575066

CCN(CC)CC(O)COc1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 2/20 0.51
ACHE P22303 1/20 0.51
ABCB11 O95342 1/20 0.48
KCNH2 Q12809 1/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
ABCB1 P08183 3/20 0.46

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
SCHEMBL13246331 0.85 POLB (0.58) POLBMAPTTDP1KDM4EMAPK1
SCHEMBL10760842 0.83 POLB (0.78) POLBMAPTTDP1KDM4EMAPK1
SCHEMBL188449 0.83 HIF1A (0.65) POLBTDP1ALDH1A1HTTHIF1A
SCHEMBL10533052 0.83 KDM4E (0.52) POLBMAPTTDP1KDM4EMAPK1
Hydrochloric Acid SCHEMBL5396629 0.82 HIF1A (0.68) POLBALDH1A1HTTHIF1A
Hydrochloric Acid SCHEMBL5257349 0.82 HIF1A (0.68) POLBALDH1A1HTTHIF1A
SCHEMBL6049252 0.81 TDP1 (0.55) POLBMAPTTDP1KDM4EMAPK1
SCHEMBL7934862 0.80 MAPT (0.55) POLBMAPTTDP1KDM4EALDH1A1
SCHEMBL13952042 0.80 POLB (0.78) POLBMAPTTDP1KDM4EMAPK1
SCHEMBL1861868 0.78 ALDH1A1 (0.82) POLBMAPTTDP1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947694-B2 Substituted pyrazolo[3,4-D]pyrimidines as cell cycle kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-7947694-B2 Substituted pyrazolo[3,4-D]pyrimidines as cell cycle kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20080039477-A1 Pyrazolopyrimidines as Cell Cycle Kinase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
US-20080039477-A1 Pyrazolopyrimidines as Cell Cycle Kinase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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-20080039477-A1 Pyrazolopyrimidines as Cell Cycle Kinase Inhibitors CDK1, CDK2, CDKN1A POLB 842/4885MAPT 3998/4885TDP1 613/4885
US-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 POLB 3520/4885MAPT 1650/4885TDP1 1903/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 POLB 1863/4885MAPT 2433/4885TDP1 1059/4885

“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.