SCHEMBL1939014

SCHEMBL1939014

NC(=O)C1CCN(c2nc(Cl)ncc2Br)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.53
BCR P11274 14/20 0.53
CYP3A4 P08684 1/20 0.51
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
AKT2 P31751 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2560028 0.84 CYP3A4 (0.51) ABL1CYP3A4KDM4ERECQLAKT2
SCHEMBL13649032 0.81 ABL1 (0.56) ABL1BCRALDH1A1
SCHEMBL1938711 0.79 TSHR (0.55) CYP3A4KDM4ERECQLAKT2ALDH1A1
SCHEMBL16701397 0.79 ABL1 (0.59) ABL1BCRTDP1
SCHEMBL1937485 0.78 AKT2 (0.52) ABL1CYP3A4KDM4ERECQLAKT2
SCHEMBL17700131 0.78 ABL1 (0.52) ABL1BCR
SCHEMBL4304308 0.77 ABL1 (0.52) ABL1BCR
SCHEMBL4304306 0.76 ABL1 (0.48) ABL1BCR
SCHEMBL5347384 0.73 NEK2 (0.51) KDM4E
SCHEMBL14859903 0.73 CYP3A4 (0.51) ABL1CYP3A4KDM4ERECQLAKT2

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
CN-102171202-A Pyridine and pyrimidine based compounds as WNT signaling pathway inhibitors for the treatment of cancer CANCER REC TECH LTD 2011-08-31 CN claimed
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 claimed
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 claimed
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 claimed
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
CN-102171202-A Pyridine and pyrimidine based compounds as WNT signaling pathway inhibitors for the treatment of cancer CANCER REC TECH LTD 2011-08-31 CN 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
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 ABL1 770/4885BCR 1432/4885CYP3A4 1871/4885
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 ABL1 770/4885BCR 1432/4885CYP3A4 1871/4885

“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.