SCHEMBL3549147

SCHEMBL3549147

Cc1cccnc1C1CNCC[N]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
HTR1A P08908 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
OPRL1 P41146 5/20 0.34
SLC6A3 Q01959 2/20 0.33
SSTR4 P31391 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
OPRM1 P35372 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
RAB9A P51151 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
SCHEMBL3549040 0.81 SLC6A2 (0.35) SLC6A2SLC6A4HTR1AOPRL1SLC6A3
SCHEMBL2204886 0.81 SLC6A2 (0.41) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL1254387 0.78 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL3917788 0.78 LRRK2 (0.35) HTR2AHTR2CHTR2BCYP1A2CYP2D6
SCHEMBL2204913 0.76 HTR2C (0.47) SLC6A2SLC6A4HTR1AHTR2AHTR2C
SCHEMBL2264044 0.74 OPRL1 (0.44) NOS3NOS1NOS2OPRL1OPRM1
SCHEMBL1255263 0.73 HTR2C (0.50) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL2771921 0.73 SLC6A2 (0.36) SLC6A2SLC6A4HTR1ANOS3NOS1
SCHEMBL2202390 0.73 MAPT (0.44) HTR1ANOS3NOS1NOS2SSTR4
SCHEMBL844622 0.72 NISCH (0.39) CYP1A2HIF1ARAB9ANISCH

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 SLC6A2 4562/4885SLC6A4 4652/4885HTR1A 1517/4885

“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.