SCHEMBL182711

SCHEMBL182711

[c]1ccc(N2CCNCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.53
HRH3 Q9Y5N1 1/20 0.45
BPTF Q12830 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HTR3E A5X5Y0 4/20 0.42
HTR3B O95264 4/20 0.42
HTR3A P46098 4/20 0.42
HTR3D Q70Z44 4/20 0.42
HTR3C Q8WXA8 4/20 0.42
ADRB1 P08588 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HTR2C P28335 3/20 0.41
CYP3A4 P08684 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 2/20 0.41
HTR1A P08908 2/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 2/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL743397 0.82 MAPT (0.40) ALDH1A1CYP1A2MAPK1HRH4TSHR
SCHEMBL2067822 0.82 MAPT (0.36) PLD1ALDH1A1KDM4ECYP1A2TSHR
SCHEMBL1316269 0.81 MAPT (0.41) ALDH1A1CYP1A2HRH4HPGDTSHR
SCHEMBL4778875 0.78 HRH3 (0.37) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL182759 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10CYP1A2HTT
SCHEMBL932525 0.78 HRH4 (0.45) HRH3ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL8206425 0.78 CNR2 (0.39) PLD1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL21815502 0.77 ACVR1 (0.41) ALDH1A1
SCHEMBL8199221 0.76 SMPD3 (0.39) ALDH1A1KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL4775116 0.76 LMNA (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
CN-114761406-B Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-04-19 CN claimed
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 EP claimed
US-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US claimed
EP-3953356-B1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-07-26 EP claimed
CN-116323589-A Pyridone compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-06-23 CN claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
CN-114761406-A Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-07-15 CN claimed
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 US claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders PRKDC, PRKACA, ABL1 PLD1 1918/4885HRH3 2483/4885BPTF 3081/4885
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 PLD1 3604/4885HRH3 625/4885BPTF 1523/4885
US-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE PNPO, PDXK, C5 PLD1 1920/4885HRH3 15/4885BPTF 2497/4885
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR7, TLR9, TLR5 PLD1 2379/4885HRH3 14/4885BPTF 1127/4885
US-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A PLD1 445/4885HRH3 4562/4885BPTF 2535/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PLD1 3677/4885HRH3 599/4885BPTF 1531/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 PLD1 1762/4885HRH3 782/4885BPTF 1556/4885

“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.