SCHEMBL2200705

SCHEMBL2200705

c1ccc2nc(C3CNCC[N]3)ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
NISCH Q9Y2I1 2/20 0.32
CYP1A2 P05177 6/20 0.32
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
PMP22 Q01453 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
USP2 O75604 1/20 0.32
HTR3B O95264 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR7 P34969 1/20 0.32
HTT P42858 1/20 0.32
HTR6 P50406 1/20 0.32
HTR3D Q70Z44 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
SCHEMBL2583636 0.76 CYP3A4 (0.42) HTR3ANISCHCYP1A2KDM4EALDH1A1
SCHEMBL10391522 0.76 HCRTR1 (0.36) HTR3AHRH4CYP1A2KDM4EALDH1A1
SCHEMBL6233506 0.75 BMPR1B (0.36) HTR3AHRH4CYP1A2KDM4EALDH1A1
SCHEMBL3553353 0.73
SCHEMBL14481220 0.72 HRH1 (0.44) CYP3A4CYP2D6
SCHEMBL1254387 0.72 HTR2A (0.33) KDM4EALDH1A1HTR2C
SCHEMBL30031043 0.72 MEN1 (0.46) HTR3AHRH4CYP1A2KDM4EALDH1A1
SCHEMBL4963862 0.72 MEN1 (0.46) HTR3AHRH4CYP1A2KDM4EALDH1A1
SCHEMBL571789 0.69 SLC18A3 (0.41) NISCHKDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL30200310 0.69 HTR3A (0.41) HTR3AHRH4CYP1A2KDM4EALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385035-B1 PREPARATION METHOD OF DIHYDROINDENE AMIDE COMPOUNDS THEIR PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS THEREOF AND USE AS PROTEIN KINASES INHIBITOR HARBIN GLORIA PHARMACEUTICALS CO LTD (CN) 2014-06-25 EP claimed
EP-2385035-A1 PREPARATION METHOD OF DIHYDROINDENE AMIDE COMPOUNDS THEIR PHARMACEUTICAL COMPOSITIONS CONTAING COMPOUNDS THEREOF AND USE AS PROTEIN KINASES INHIBITOR Harbin Gloria Pharmaceuticals Co., Ltd. (CN) 2011-11-09 EP claimed
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
CN-103420988-A Pyridinone and pyridazinone derivatives as inhibitors of poly(adp-ribose)polymerase (parp) ANGELETTI P IST RICHERCHE BIO 2013-12-04 CN disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
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
CN-101501006-A Pyridone and pyridazinone derivatives as poly (ADP-ribose) polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2009-08-05 CN disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 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
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 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
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 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 (3 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 HTR3A 2333/4885HRH4 1306/4885NISCH 995/4885
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 HTR3A 937/4885HRH4 2937/4885NISCH 3405/4885
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 HTR3A 2321/4885HRH4 3811/4885NISCH 4301/4885

“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.