SCHEMBL6353901

SCHEMBL6353901

O=C1NCCc2c1[nH]c1c(Cl)cccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.64
PTK2B Q14289 1/20 0.64
KDM4E B2RXH2 4/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
PARP1 P09874 2/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
GSK3B P49841 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL6352557 0.82 KDM4E (0.60) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL28370434 0.82 KDM4E (0.60) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL6236426 0.78 HTT (1.00) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL797563 0.76 KDM4E (1.00) HTTKDM4EHPGDMEN1CYP1A2
SCHEMBL6350624 0.73 KDM4E (0.69) HTTKDM4EHPGDMEN1CYP1A2
SCHEMBL18319338 0.72 KDM4E (0.49) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL7500905 0.72 PLK4 (0.62) HTTKDM4EHPGDMEN1CYP1A2
SCHEMBL16923048 0.71 KDM4E (0.62) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL797996 0.70 PARP1 (0.64) HTTPTK2BPARP1MAPT
SCHEMBL30233773 0.70 PARP1 (0.64) HTTPTK2BPARP1MAPT

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
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed
CN-110790762-A Tetrahydroindole quinazoline compound and application thereof 中国医学科学院医药生物技术研究所 2020-02-14 CN disclosed
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US 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 (2 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 HTT 3086/4885PTK2B 77/4885KDM4E 1947/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 HTT 3748/4885PTK2B 58/4885KDM4E 2254/4885

“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.