SCHEMBL2520992

SCHEMBL2520992

CCN(CC)CCCNc1c(C)cnc2cc(Cl)ccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.56
CYP2D6 P10635 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
HSD17B10 Q99714 2/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
CHRM2 P08172 3/20 0.48
CHRM4 P08173 3/20 0.48
CHRM5 P08912 3/20 0.48
ADRA2A P08913 3/20 0.48
CHRM1 P11229 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
CHRM3 P20309 3/20 0.48
KCNH2 Q12809 3/20 0.48
PRNP P04156 2/20 0.48
MTOR P42345 2/20 0.48
TMEM97 Q5BJF2 2/20 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
SCHEMBL12210462 0.93 KDM4E (0.62) CDK1CYP2D6CYP1A2CYP3A4HSD17B10
SCHEMBL16261305 0.85 CDK1 (0.53) CDK1CYP2D6CYP1A2CYP3A4HSD17B10
SCHEMBL1612342 0.82 CYP2D6 (0.67) CYP2D6CYP1A2CYP3A4HSD17B10LMNA
SCHEMBL7102744 0.81 CYP2D6 (0.50) CDK1CYP2D6CYP1A2CYP3A4HSD17B10
SCHEMBL2521033 0.80 CYP3A4 (0.53) CYP2D6CYP1A2CYP3A4FERMT2ACHE
SCHEMBL1147366 0.78 CDK1 (0.87) CDK1CYP2D6CYP1A2HSD17B10LMNA
SCHEMBL16261319 0.77 KDM4E (0.56) CDK1CYP2D6CYP1A2CYP3A4HSD17B10
Hydrochloric Acid SCHEMBL29695676 0.77 CDK1 (0.85) CDK1CYP2D6CYP1A2HSD17B10LMNA
SCHEMBL15120920 0.77 CDK1 (0.48) CDK1CYP2D6CYP1A2CYP3A4HSD17B10
SCHEMBL1147619 0.76 CDK1 (0.87) CDK1CYP2D6CYP1A2HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481543-B2 Compounds for treating parasitic disease OREGON HEALTH & SCIENCE UNIVERSITY (US) 2013-07-09 US disclosed
US-8481543-B2 Compounds for treating parasitic disease OREGON HEALTH & SCIENCE UNIVERSITY (US) 2013-07-09 US disclosed
US-8481543-B2 Compounds for treating parasitic disease OREGON HEALTH & SCIENCE UNIVERSITY (US) 2013-07-09 US disclosed
US-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY 2011-10-13 US disclosed
US-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY 2011-10-13 US disclosed
US-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY 2011-10-13 US disclosed
WO-2010059633-A2 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-05-27 WO disclosed
WO-2010059633-A2 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-05-27 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-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE EPX, CFTR, TERT CDK1 3732/4885CYP2D6 449/4885CYP1A2 166/4885

“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.