SCHEMBL3553656

SCHEMBL3553656

CCOC(=O)c1nnc2n1CC[N]C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP8 Q6V1X1 1/20 0.39
POLB P06746 1/20 0.37
LTA4H P09960 1/20 0.36
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 1/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 4/20 0.33
HSD17B10 Q99714 2/20 0.33
RECQL P46063 1/20 0.33
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8027550 0.77 DPP4 (0.48) DPP4DPP9DPP8POLBLTA4H
SCHEMBL17454164 0.75 DPP4 (0.41) DPP4DPP9DPP8POLBLTA4H
SCHEMBL110825 0.75 MGLL (0.42) DPP4DPP9DPP8POLBLTA4H
SCHEMBL15240404 0.74 DPP4 (0.40) DPP4DPP9DPP8POLBLTA4H
SCHEMBL20778314 0.72 DPP4 (0.45) DPP4DPP9DPP8POLBLTA4H
SCHEMBL573207 0.70 DPP4 (0.50) DPP4DPP9DPP8POLBLTA4H
SCHEMBL15249483 0.69 ADORA1 (0.45) DPP4DPP9DPP8POLBPARP1
SCHEMBL930821 0.65 TACR3 (0.42) DPP4DPP9DPP8POLBMAPT
SCHEMBL18366254 0.64 DPP4 (0.35) DPP4DPP9DPP8POLBLTA4H
SCHEMBL9864614 0.63 KMT2A (0.40) MAPTCYP1A2ALDH1A1HPGDSMN1; SMN2

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 DPP4 631/4885DPP9 809/4885DPP8 826/4885

“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.