SCHEMBL1771697

SCHEMBL1771697

C=Cc1cc(N)c(C)cc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.48
JAK1 P23458 1/20 0.44
GRM1 Q13255 7/20 0.44
GRM5 P41594 6/20 0.44
HTR6 P50406 1/20 0.43
CNR1 P21554 1/20 0.41
NAMPT P43490 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 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
SCHEMBL1833900 0.85 BTK (0.34) JAK1BTK
SCHEMBL24670953 0.84 PDK4 (0.51) PDK4JAK1GRM1GRM5HTR6
SCHEMBL1771022 0.84 PDK4 (0.51) PDK4JAK1GRM1GRM5HTR6
SCHEMBL24670784 0.83 PDK4 (0.50) PDK4JAK1GRM1GRM5HTR6
SCHEMBL1771641 0.78 PDK4 (0.51) PDK4JAK1GRM1GRM5HTR6
SCHEMBL1811363 0.77 PDK4 (0.55) PDK4JAK1GRM1GRM5HTR6
SCHEMBL29744827 0.77 PDK4 (0.55) PDK4JAK1GRM1GRM5HTR6
SCHEMBL25817295 0.77 PDK4 (0.53) PDK4JAK1GRM1GRM5HTR6
SCHEMBL29651911 0.77 PDK4 (0.48) PDK4JAK1GRM1GRM5HTR6
SCHEMBL17048311 0.77 PDK4 (0.48) PDK4JAK1GRM1GRM5HTR6

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-8859574-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2014-10-14 US disclosed
US-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2013-11-21 US disclosed
US-8519129-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-12 US disclosed
EP-2318392-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-11 EP disclosed
WO-2010002655-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-01-07 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 (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-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IGF1R, IRS1, IP6K1 PDK4 493/4885JAK1 87/4885GRM1 1613/4885
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK PDK4 336/4885JAK1 77/4885GRM1 1988/4885

“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.