SCHEMBL2545540

SCHEMBL2545540

CN(C)c1ccc(C=C2C(=O)NC(=O)N2Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 1.00
PIM2 Q9P1W9 1/20 0.68
PTPN1 P18031 3/20 0.65
MAPT P10636 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 4/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
GPR35 Q9HC97 1/20 0.62
KDM4E B2RXH2 1/20 0.58
APP P05067 2/20 0.57
SNCA P37840 2/20 0.57
EGFR P00533 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51

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
SCHEMBL2545539 1.00 PIM1 (1.00) PIM1PIM2PTPN1MAPTMEN1
SCHEMBL2545538 1.00 PIM1 (1.00) PIM1PIM2PTPN1MAPTMEN1
SCHEMBL12237110 0.86 PIM1 (0.83) PIM1PIM2PTPN1MAPTMEN1
SCHEMBL12237107 0.86 PIM1 (0.83) PIM1PIM2PTPN1MAPTMEN1
SCHEMBL2542522 0.84 PIM1 (1.00) PIM1PIM2PTPN1MAPTMEN1
SCHEMBL2542527 0.84 PIM1 (1.00) PIM1PIM2PTPN1MAPTMEN1
SCHEMBL2542529 0.84 PIM1 (1.00) PIM1PIM2PTPN1MAPTMEN1
SCHEMBL12237201 0.83 PIM1 (1.00) PIM1PIM2PTPN1MAPTMEN1
SCHEMBL29992200 0.82 PIM1 (1.00) PIM1PIM2PTPN1MAPTMEN1
SCHEMBL12237200 0.82 PIM1 (1.00) PIM1PIM2PTPN1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263664-A1 Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2011-10-27 US disclosed
EP-2217235-A2 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER Musc Foundation for Research Development (US) 2010-08-18 EP disclosed
WO-2009064486-A9 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2009-07-16 WO disclosed
WO-2009064486-A2 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2009-05-22 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-20110263664-A1 Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer PIM1, PIM2, PIM3 PIM1 1/4885PIM2 2/4885PTPN1 1133/4885

“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.