SCHEMBL1939487

SCHEMBL1939487

CCN1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.55
CYP3A4 P08684 1/20 0.45
CHRNA7 P36544 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 3/20 0.41
RAD52 P43351 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL1938752 0.79 ADRB2 (0.60) ADRB2CYP3A4ALDH1A1CYP2D6RAD52
SCHEMBL19986733 0.76 ADRB2 (0.67) ADRB2CYP3A4CHRNA7ALDH1A1KDM4E
SCHEMBL10294633 0.75 HTR2A (0.60) CYP3A4CHRNA7ALDH1A1MEN1KMT2A
SCHEMBL21599143 0.73 ADRB2 (0.53) ADRB2CYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL2063946 0.72 ADRB2 (0.62) ADRB2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL28789056 0.72 ADRB2 (0.62) ADRB2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL1940746 0.71 CYP3A4 (0.54) ADRB2CYP3A4HSP90AA1ALDH1A1MEN1
SCHEMBL12082342 0.71 ADRB2 (0.51) ADRB2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL614362 0.71 ADRB2 (1.00) ADRB2CYP3A4CHRNA7ALDH1A1MEN1
SCHEMBL3365732 0.70 HTR2A (0.54) CYP3A4ALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 ADRB2 3465/4885CYP3A4 1871/4885CHRNA7 4140/4885
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 ADRB2 3465/4885CYP3A4 1871/4885CHRNA7 4140/4885

“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.