SCHEMBL657883

SCHEMBL657883

c1ccc(NN2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
GAA P10253 4/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX12 P18054 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
Bromide SCHEMBL7858764 0.98 MAPT (0.49) MAPTGAACYP2C19CYP2C9NPSR1
SCHEMBL12495214 0.98 LMNA (0.52) MAPTGAACYP2C19CYP2C9NPSR1
SCHEMBL4055295 0.84 ALDH1A1 (0.43) MAPTGAACYP2C19CYP2C9NPSR1
SCHEMBL30839226 0.82 KDM1A (0.48) MAPTGAACYP2C19CYP2C9NPSR1
SCHEMBL1752645 0.79 KDM1A (0.50) GAACYP2C19CYP2C9NPSR1LMNA
SCHEMBL1829575 0.79 KDM1A (0.46) GAACYP2C19CYP2C9NPSR1LMNA
SCHEMBL11340048 0.79 GAA (0.54) MAPTGAANPSR1LMNASMN1; SMN2
SCHEMBL13802752 0.79 CYP2D6 (0.53) MAPTGAACYP2C19CYP2C9NPSR1
SCHEMBL27261568 0.79 HTT (0.58) MAPTGAALMNASMN1; SMN2HTT
SCHEMBL29931822 0.79 MEN1 (0.46) CYP2C19LMNASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591550-A Preparation method of molatinib and key intermediate 沈阳药科大学 2025-03-11 CN 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
CN-117186472-A High-temperature-resistant stretch-resistant colorful film and preparation method thereof 新航涂布科技(苏州)有限公司 2023-12-08 CN claimed
CN-113912566-B 1-pyrene formaldehyde morpholinyl aniline Schiff base compound and preparation method and application thereof 淮阴师范学院 2023-09-19 CN 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
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
WO-2021110614-A1 HYDROPYRIDO[1,2-α]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 WO claimed
CN-110357901-B Aromatic ring vinyl thieno pyrimidine compound, preparation method and application of compound 安徽医科大学 2020-06-23 CN claimed
CN-110357901-A The preparation method and application of aromatic rings vinyl thiophene miazines compound and preparation, the compound 安徽医科大学 2019-10-22 CN claimed
CN-109206427-A Aromatic heterocycle vinyl Pyrazolopyrimidines, pharmaceutical preparation and preparation method and application 安徽医科大学 2019-01-15 CN claimed
CN-108997247-A A kind of preparation method of Rivaroxaban intermediate 泰州申合泰尔生物医药有限公司 2018-12-14 CN claimed
CN-108707119-A A kind of preparation method of Momelotinib 抚顺大恒化工有限公司 2018-10-26 CN claimed
CN-105837515-B A kind of preparation method of JAK inhibitor Momelotinib 中国药科大学 2018-08-03 CN claimed
CN-106967074-A CDK inhibitor G1治疗公司 2017-07-21 CN claimed
CN-106008533-A Cdk inhibitors G1治疗公司 2016-10-12 CN claimed
CN-105837515-A A preparing method of a JAK inhibitor Momelotinib 中国药科大学 2016-08-10 CN claimed
CN-102648217-B Low molecular weight polymers of multifunctional multiple graft monomers CASTROL LTD. (GB) 2015-11-25 CN claimed
CN-104672217-A New linezolid intermediate, preparation method thereof, and linezolid synthesis method BEIJING ZHONGHE MINJIAN PHARMACEUTICAL TECHNOLOGY CO LTD 2015-06-03 CN claimed
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 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 (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-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR7, TLR9, TLR5 MAPT 4690/4885GAA 2868/4885CYP2C19 2925/4885

“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.