SCHEMBL1938495

SCHEMBL1938495

O=C(NCCNC(=O)C1CCNC1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 2/20 0.48
CPB1 P15086 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTR2C P28335 2/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
TSHR P16473 1/20 0.45
TGM2 P21980 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL2261792 1.00 LMNA (0.52) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL1938713 1.00 LMNA (0.52) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL1938499 0.93 SMN1; SMN2 (0.55) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL7299337 0.87 CPB1 (0.47) HTTMEN1KMT2AGAACPB1
SCHEMBL12812726 0.82 KMT2A (0.64) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL19083306 0.81 LMNA (0.53) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL12812906 0.81 LMNA (0.56) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL7296884 0.80 F10 (0.48) SMN1; SMN2HTTMEN1KMT2AGAA
SCHEMBL29017563 0.79 TSHR (0.49) GAACPB1ALDH1A1HTR2CTSHR
SCHEMBL29017564 0.79 TSHR (0.49) GAACPB1ALDH1A1HTR2CTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER REC TECH LTD (GB) 2014-11-27 US disclosed
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER REC TECH LTD (GB) 2014-11-27 US disclosed
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER REC TECH LTD (GB) 2014-11-27 US disclosed
US-8778925-B2 Pyridine and pyrimidine based compounds as Wnt signaling pathway inhibitors for the treatment of cancer CANCER RESEARCH TECHNOLOGY LTD. (GB) 2014-07-15 US disclosed
US-8778925-B2 Pyridine and pyrimidine based compounds as Wnt signaling pathway inhibitors for the treatment of cancer CANCER RESEARCH TECHNOLOGY LTD. (GB) 2014-07-15 US disclosed
US-8778925-B2 Pyridine and pyrimidine based compounds as Wnt signaling pathway inhibitors for the treatment of cancer CANCER RESEARCH TECHNOLOGY LTD. (GB) 2014-07-15 US disclosed
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 US disclosed
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 US disclosed
EP-2331523-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2011-06-15 EP disclosed
WO-2010041054-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-04-15 WO disclosed
WO-2010041054-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-04-15 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-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 LMNA 3945/4885SMN1; SMN2 4623/4885HTT 4535/4885
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 LMNA 3945/4885SMN1; SMN2 4623/4885HTT 4535/4885

“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.