SCHEMBL3553094

SCHEMBL3553094

O=c1[nH]ncn2cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PARP1 P09874 3/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
IDO1 P14902 2/20 0.34
HSD17B10 Q99714 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKCI P41743 1/20 0.33
PDE4B Q07343 1/20 0.33
CHEK1 O14757 1/20 0.32
FYN P06241 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
SCHEMBL26155921 0.71 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9APARP1
SCHEMBL2351390 0.70
SCHEMBL10645322 0.69 IDO1 (0.39) KDM4EALDH1A1NPC1RAB9APARP1
SCHEMBL5666343 0.69 PARP1 (0.44) KDM4EALDH1A1NPC1RAB9APARP1
SCHEMBL25633272 0.68 ALDH1A1 (0.64) KDM4EALDH1A1NPC1RAB9APARP1
SCHEMBL30073600 0.68 ALDH1A1 (0.64) KDM4EALDH1A1NPC1RAB9APARP1
SCHEMBL484880 0.67 PARP1 (0.37) KDM4EALDH1A1RAB9APARP1TNKS
SCHEMBL21190833 0.65 ALDH1A1 (0.41) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL3997846 0.64 TNKS (0.41) KDM4EALDH1A1NPC1RAB9ATNKS
SCHEMBL27143502 0.63 PARP1 (0.50) KDM4EALDH1A1PARP1TNKSTNKS2

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US claimed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US claimed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US claimed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP claimed
CN-103313968-A Nampt and rock inhibitors ABBVIE LAB 2013-09-18 CN claimed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
EP-4619101-A1 NOVEL PYRROLO[1,2-d][1,2,4]TRIAZINONE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU7 RECEPTORS Neurosterix Pharma Sàrl (CH) 2025-09-24 EP disclosed
EP-4619102-A1 NOVEL PYRROLO[1,2-d][1,2,4]TRIAZIN-1-ONE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU7 RECEPTORS Neurosterix Pharma Sàrl (CH) 2025-09-24 EP disclosed
EP-4619101-A1 NOVEL PYRROLO[1,2-d][1,2,4]TRIAZINONE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU7 RECEPTORS Neurosterix Pharma Sàrl (CH) 2025-09-24 EP disclosed
CN-120603833-A Pyrrolo [1,2-d ] [1,2,4] triazin-1-one derivatives as negative allosteric modulators of MGLU7 receptors 纽罗斯特瑞克斯制药有限公司 2025-09-05 CN disclosed
CN-120322436-A Pyrrolo [1,2-d ] [1,2,4] triazinone derivatives as MGLU7 receptor negative allosteric modulators 纽罗斯特瑞克斯制药有限公司 2025-07-15 CN disclosed
CN-119894897-A Heteroaromatic compounds for the treatment of neurological disorders 苏文生命科学有限公司 2025-04-25 CN disclosed
US-20110237527-A1 SGLT-2 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-09-29 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-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
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 (5 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK KDM4E 2048/4885ALDH1A1 2558/4885NPC1 1017/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 KDM4E 3173/4885ALDH1A1 2689/4885NPC1 453/4885
US-20110237527-A1 SGLT-2 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF SLC5A2, SLC5A1, SLC10A1 KDM4E 4450/4885ALDH1A1 2113/4885NPC1 25/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 KDM4E 3173/4885ALDH1A1 2689/4885NPC1 453/4885
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 KDM4E 3630/4885ALDH1A1 139/4885NPC1 4193/4885

“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.