SCHEMBL3589062

SCHEMBL3589062

CCOC(=O)CCc1ccc2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
P2RY12 Q9H244 1/20 0.55
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
KDM4E B2RXH2 2/20 0.50
DAO P14920 1/20 0.49
CYP4Z1 Q86W10 1/20 0.48
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
SYK P43405 3/20 0.44
HDAC3 O15379 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLK1 P53350 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL6359744 0.90 CYP4F2 (0.51) PDE3BPDE3AP2RY12CYP4F2CYP4A11
SCHEMBL4701042 0.86 HDAC3 (0.52) KDM4EDAOCYP4Z1HTTALOX15
SCHEMBL22919854 0.86 ALOX15 (0.56) PDE3BPDE3AP2RY12DAOHTT
SCHEMBL27650579 0.85 PDE3B (0.51) PDE3BPDE3AP2RY12KDM4EDAO
SCHEMBL3861037 0.83 MAPT (0.52) PDE3BPDE3AP2RY12CYP4F2CYP4A11
SCHEMBL5363783 0.82 DAO (0.51) KDM4EDAOHTTALOX15ALDH1A1
Hydrochloric Acid SCHEMBL3861033 0.82 MAPT (0.51) PDE3BPDE3AP2RY12CYP4F2CYP4A11
SCHEMBL27838094 0.81 ALOX5 (0.57) PDE3BPDE3AP2RY12KDM4EHTT
SCHEMBL30244780 0.80 DAO (0.52) DAOHTTALOX15MAPTHDAC3
SCHEMBL2385413 0.80 CYP4F2 (0.59) PDE3BPDE3AP2RY12CYP4F2CYP4A11

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
WO-2015024448-A1 BENZO PIPERIDINE RING AND BENZO MORPHOLINE RING COMPOUNDS, MANUFACTURING METHOD THEREFOR, AND MEDICAL APPLICATIONS THEREOF 上海润诺生物科技有限公司 (CN) 2015-02-26 WO disclosed
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
EP-1114028-B1 AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION AVENTIS PHARMA LTD (GB) 2006-11-29 EP disclosed
US-6608084-B1 Treatment of human or non-human animal patient suffering from, or subject to, condition which can be ameliorated by administration of inhibitor of alpha 4 beta 1 mediated cell adhesion AVENTIS PHARMA LTD. (GB) 2003-08-19 US disclosed
CN-1323295-A Azabicyclic compounds for modulating cell adhesion inhibition AVENTIES PHARMACEUTICAL LTD (GB) 2001-11-21 CN disclosed
EP-1114028-A1 AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION Aventis Pharma Limited (GB) 2001-07-11 EP disclosed
WO-2000015612-A1 AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION AVENTIS PHARMA LIMITED (GB) 2000-03-23 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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 PDE3B 600/4885PDE3A 568/4885P2RY12 1276/4885

“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.