SCHEMBL3556451

SCHEMBL3556451

FC(F)(F)c1ccnc(N2CC[N]CC2)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.71
RBP4 P02753 1/20 0.57
PKM P14618 2/20 0.52
KMT2A Q03164 1/20 0.52
SLC6A7 Q99884 1/20 0.52
HTR2C P28335 5/20 0.51
HTR2A P28223 4/20 0.51
HTR2B P41595 4/20 0.51
KDM4E B2RXH2 2/20 0.51
OGA O60502 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PARP1 P09874 1/20 0.46
HTR1A P08908 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SORD Q00796 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
SCHEMBL8354208 0.91 ADRB1 (0.78) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL28070992 0.88 ADRB1 (0.73) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL13286847 0.86 ADRB1 (0.71) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL1999765 0.85 ADRB1 (0.69) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL12969642 0.83 ADRB1 (0.68) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL230177 0.83 ADRB1 (1.00) ADRB1RBP4PKMKMT2ASLC6A7
Hydrochloric Acid SCHEMBL17541669 0.82 ADRB1 (0.97) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL14923154 0.81 ADRB1 (0.64) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL5463427 0.81 ADRB1 (0.64) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL1994796 0.81 ADRB1 (0.64) ADRB1RBP4PKMKMT2ASLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 US disclosed
EP-2032140-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 EP disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 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-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 ADRB1 1292/4885RBP4 528/4885PKM 906/4885

“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.