SCHEMBL209455

SCHEMBL209455

CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
NAMPT P43490 1/20 0.41
IDO1 P14902 3/20 0.41
BCL2 P10415 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDO2 P48775 1/20 0.38
CCR1 P32246 1/20 0.38
GRIN2B Q13224 1/20 0.38
VNN1 O95497 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
GRM5 P41594 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL210778 0.89 IDO1 (0.42) IDO1NPC1RAB9ATDO2CCR1
SCHEMBL14359667 0.88 CCNK (0.42) CCNKCDK12IDO1BCL2ALDH1A1
SCHEMBL206636 0.88 IDO1 (0.41) IDO1ALDH1A1TDO2CCR1EIF2AK4
SCHEMBL208363 0.86 F10 (0.42) CCNKCDK12IDO1ALDH1A1TDO2
SCHEMBL209753 0.86 IDO1 (0.40) IDO1TDO2CCR1EIF2AK4TSHR
SCHEMBL207922 0.86 ALDH1A1 (0.44) IDO1ALDH1A1RAB9ATDO2CCR1
SCHEMBL208895 0.85 F10 (0.43) IDO1TDO2CCR1EIF2AK4TSHR
SCHEMBL207801 0.85 IDO1 (0.39) IDO1TDO2CCR1EIF2AK4TSHR
SCHEMBL4267724 0.85 IDO1 (0.39) IDO1ALDH1A1TDO2CCR1EIF2AK4
SCHEMBL210448 0.85 F10 (0.41) CCNKCDK12IDO1TDO2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 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 (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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 CCNK 973/4885CDK12 243/4885NAMPT 3559/4885

“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.