SCHEMBL6237963

SCHEMBL6237963

O=C1NCCc2c1[nH]c1ccc(C#Cc3ccccc3)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
HPGD P15428 2/20 0.63
HTT P42858 2/20 0.63
MEN1 O00255 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63
MAPT P10636 3/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
NCOA1 Q15788 2/20 0.55
NCOA3 Q9Y6Q9 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
GRM5 P41594 1/20 0.53
PRKD1 Q15139 1/20 0.51
PLK4 O00444 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49

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
SCHEMBL15868229 0.81 HSD17B10 (0.62) KDM4EHPGDMEN1KMT2AMAPT
SCHEMBL797563 0.79 KDM4E (1.00) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL6235583 0.77 KDM4E (0.63) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL29855719 0.75 MAPT (0.69) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL6350624 0.75 KDM4E (0.69) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL6241086 0.75 KDM4E (1.00) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL1655185 0.75 PRKD1 (0.84) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL5263677 0.75 MAPT (0.69) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL6237719 0.75 KDM4E (0.69) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL6236970 0.75 KDM4E (0.69) KDM4EHPGDHTTMEN1CYP1A2

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
US-20140194429-A1 COMPOSITIONS FOR TREATMENT OF CANCER NOVARX CORPORATION 2014-07-10 US 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
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 (3 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-20140194429-A1 COMPOSITIONS FOR TREATMENT OF CANCER TP53, MCL1, CD44 KDM4E 3891/4885HPGD 917/4885HTT 3197/4885
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 KDM4E 1947/4885HPGD 1729/4885HTT 3086/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 KDM4E 2254/4885HPGD 1858/4885HTT 3748/4885

“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.