SCHEMBL3549372

SCHEMBL3549372

c1cn(C2CC[N]CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP17A1 P05093 1/20 0.32
F10 P00742 1/20 0.31
NFKB1 P19838 1/20 0.31
QPCT Q16769 1/20 0.31
HSD17B10 Q99714 1/20 0.31
QPCTL Q9NXS2 1/20 0.31

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
SCHEMBL945421 0.86
Ammonia Solution, Strong SCHEMBL28860953 0.84
Hydrochloric Acid SCHEMBL28498519 0.84 CYP19A1 (0.39) CYP19A1CYP3A4CYP2D6HRH1KCNH2
SCHEMBL10068593 0.82
SCHEMBL4872099 0.82 CYP2B6 (0.44) CYP19A1CYP3A4CYP2D6HRH1KCNH2
SCHEMBL14723543 0.80 CYP2B6 (0.47) CYP19A1CYP3A4CYP2D6HRH1KCNH2
SCHEMBL22939999 0.80 CYP2B6 (0.47) CYP19A1CYP3A4CYP2D6HRH1KCNH2
SCHEMBL10647110 0.80 CYP2B6 (0.47) CYP19A1CYP3A4CYP2D6HRH1KCNH2
SCHEMBL285095 0.80 CYP2B6 (0.47) CYP19A1CYP3A4CYP2D6HRH1KCNH2
Water SCHEMBL28907403 0.78 CYP2B6 (0.46) CYP19A1CYP3A4CYP2D6HRH1KCNH2

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 CYP19A1 2254/4885CYP3A4 2868/4885CYP2D6 3589/4885

“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.