SCHEMBL6236426

SCHEMBL6236426

O=C1NCCc2c1[nH]c1c(Cl)ccc(Cl)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 1.00
PTK2B Q14289 1/20 1.00
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP1 P09874 9/20 0.47
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NCOA1 Q15788 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NOTUM Q6P988 1/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38

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
SCHEMBL6353901 0.78 HTT (0.64) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL2360276 0.75 HTT (0.60) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL12602268 0.74 HTT (0.59) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL11490810 0.69 HTT (0.52) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL15814364 0.68 HTT (0.51) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL15016207 0.67 HTT (0.50) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL14992245 0.67 ACHE (0.51) HTTPTK2BPARP1NOTUMF7
SCHEMBL73442 0.67 HTT (0.49) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL15428071 0.66 HTT (0.49) HTTPTK2BKDM4EHPGDMEN1
SCHEMBL1759917 0.66 NOTUM (0.56) HTTPTK2BPARP1NOTUMF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 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 (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.