SCHEMBL3552476

SCHEMBL3552476

c1nc(CN2CCC[N]CC2)c[nH]1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
PNP P00491 1/20 0.33
CXCR4 P61073 2/20 0.32
ALOX15 P16050 1/20 0.32
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL22548971 0.86 HRH3 (0.41) HRH3PNPCXCR4ALOX15HRH4
SCHEMBL19046435 0.76 CXCR4 (0.45) HRH3CXCR4ALOX15
SCHEMBL4822907 0.76 CYP1A2 (0.33) CXCR4ALOX15
SCHEMBL3553674 0.74 SCN9A (0.37) HRH3CXCR4
SCHEMBL3555728 0.74 CXCR4 (0.32) HRH3CXCR4
SCHEMBL3379572 0.73 ALOX15 (0.38) HRH3ALOX15
SCHEMBL14375361 0.72 ALDH1A1 (0.45) HRH3
SCHEMBL19850990 0.72 LMNA (0.53) HRH3HRH4
SCHEMBL1201919 0.72 LMNA (0.53) HRH3HRH4
SCHEMBL2141762 0.72 PARP1 (0.38) HRH3

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 2 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

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 HRH3 3031/4885PNP 1507/4885CXCR4 1989/4885

“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.