SCHEMBL310606

SCHEMBL310606

CCC(c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
PDK4 Q16654 1/20 0.49
CDK7 P50613 1/20 0.48
CDK13 Q14004 1/20 0.48
CDK12 Q9NYV4 1/20 0.48
CNR1 P21554 1/20 0.46
GRM1 Q13255 9/20 0.45
GRM5 P41594 8/20 0.45
PDE4B Q07343 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
TNK2 Q07912 1/20 0.42
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
HTR6 P50406 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
ATR Q13535 1/20 0.41

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
SCHEMBL2909557 0.82 ALDH1A1 (0.59) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL8912847 0.79 NAMPT (0.63) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL22324996 0.79 NAMPT (0.55) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL20354578 0.78 NAMPT (0.57) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL904049 0.78 NAMPT (0.61) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL14990741 0.77 CDK7 (0.59) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL310607 0.77 NAMPT (0.47) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL2908091 0.77 NAMPT (0.60) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL18619842 0.77 NAMPT (0.60) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL18619845 0.77 NAMPT (0.60) NAMPTPDK4CDK7CDK13CDK12

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-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 NAMPT 762/4885PDK4 782/4885CDK7 131/4885

“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.