SCHEMBL6510127

SCHEMBL6510127

COC(=O)c1ccccc1NCCN(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.69
GLA P06280 1/20 0.69
POLB P06746 1/20 0.56
ATM Q13315 1/20 0.56
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.51
ALOX15 P16050 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
GAA P10253 3/20 0.50
TSHR P16473 5/20 0.48
ALDH1A1 P00352 6/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 4/20 0.48
MAPK10 P53779 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL28696161 0.85 KDM4E (0.51) KDM4EGLAPOLBATMKMT2A
SCHEMBL3686730 0.84 KDM4E (0.47) KDM4EGLAKMT2AMEN1ALDH1A1
SCHEMBL18474174 0.83 SYK (0.53) KDM4EGLAKMT2AMEN1NPC1
SCHEMBL6513253 0.82 KDM4E (1.00) KDM4EGLAPOLBATMKMT2A
SCHEMBL7819029 0.82 KDM4E (0.76) KDM4EGLAPOLBATMKMT2A
SCHEMBL10364552 0.81 KDM4E (0.73) KDM4EGLAPOLBATMKMT2A
SCHEMBL6318031 0.80 KDM4E (0.72) KDM4EGLAPOLBATMKMT2A
SCHEMBL16691019 0.79 KDM4E (0.71) KDM4EGLAPOLBATMKMT2A
SCHEMBL15850369 0.79 KDM4E (0.71) KDM4EGLAPOLBATMKMT2A
SCHEMBL28672732 0.79 KDM4E (0.71) KDM4EGLAPOLBATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 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 (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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KDM4E 1251/4885GLA 3621/4885POLB 3257/4885

“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.