SCHEMBL949070

SCHEMBL949070

Cc1nc(C2=CCN(C(=O)OC(C)(C)C)CC2)[nH]c1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.48
GRM5 P41594 11/20 0.48
PDK4 Q16654 1/20 0.48
JAK1 P23458 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
NAMPT P43490 1/20 0.45
TNK2 Q07912 1/20 0.43
CDK7 P50613 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
CNR1 P21554 1/20 0.43
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL4847387 0.82 GRM1 (0.50) GRM1GRM5PDK4JAK1GPR119
SCHEMBL7838136 0.80 GRM5 (0.55) GRM1GRM5PDK4JAK1NAMPT
SCHEMBL31169216 0.80 GRM1 (0.49) GRM1GRM5PDK4JAK1GPR119
SCHEMBL4462806 0.77 GRM1 (0.51) GRM1GRM5PDK4JAK1NAMPT
SCHEMBL12523749 0.77 NAMPT (0.53) GRM1GRM5PDK4JAK1GPR119
SCHEMBL17645656 0.76 CDK9 (0.49) GRM1GRM5PDK4JAK1NAMPT
SCHEMBL25480230 0.76 GRM1 (0.59) GRM1GRM5PDK4JAK1GPR119
SCHEMBL31466070 0.76 GRM1 (0.53) GRM1GRM5PDK4JAK1GPR119
SCHEMBL14849746 0.76 GRM1 (0.48) GRM1GRM5PDK4JAK1GPR119
SCHEMBL8912847 0.76 NAMPT (0.63) GRM1GRM5PDK4GPR119NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 GRM1 810/4885GRM5 1943/4885PDK4 1735/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 GRM1 1017/4885GRM5 2202/4885PDK4 1719/4885

“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.