SCHEMBL3561987

SCHEMBL3561987

COc1ccccc1C(=O)C1CNCC[N]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.40
CTSD P07339 1/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
KDM2B Q8NHM5 2/20 0.39
FAAH O00519 1/20 0.39
CNR2 P34972 1/20 0.39
TSHR P16473 1/20 0.39
STAT3 P40763 1/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL3559018 0.79 CES2 (0.41) HTTTSHR
SCHEMBL2569683 0.75 KMT2A (0.39) HTTUSP2TSHRPOLB
SCHEMBL1683700 0.74 PIN1 (0.42) PIN1CTSDHTTTSHR
SCHEMBL6002246 0.72 SLC6A4 (0.33)
SCHEMBL27454098 0.72 BRPF1 (0.48) PIN1CTSDHTTKDM2BPOLB
Hydrochloric Acid SCHEMBL15566023 0.71 HTR2C (0.53) PIN1CDK1CDK4CCND1CDK2
Hydrochloric Acid SCHEMBL27474101 0.71 BRPF1 (0.47) PIN1HTTKDM2BPOLB
SCHEMBL844809 0.70 CHRNB2 (0.46)
SCHEMBL1254378 0.70 HTR2C (0.51) HTTUSP2
SCHEMBL4609870 0.70 PIN1 (0.59) PIN1CTSDHTTKDM2BPOLB

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 PIN1 469/4885ABCG2 3376/4885CTSD 2427/4885

“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.