SCHEMBL4071092

SCHEMBL4071092

O=C1c2ccccc2C(=O)N1C(c1ccc(Cl)cc1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
DRD3 P35462 3/20 0.43
DRD2 P14416 2/20 0.43
MDM2 Q00987 2/20 0.41
MAPT P10636 2/20 0.40
GSK3B P49841 1/20 0.39
TNF P01375 1/20 0.38
CHRM1 P11229 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DNMT1 P26358 1/20 0.37
CNR1 P21554 2/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
BCL2 P10415 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL17916031 0.88 DRD3 (0.52) MEN1KMT2ADRD3DRD2MAPT
SCHEMBL4029880 0.80 ALOX15 (0.50) MEN1KMT2ADRD3DRD2MAPT
SCHEMBL3299084 0.76 SMN1; SMN2 (0.55) MEN1KMT2AMDM2ALDH1A1SLC6A4
SCHEMBL8623932 0.76 TDP1 (0.45) MEN1KMT2AMDM2MAPTCHRM1
SCHEMBL13657746 0.75 MEN1 (0.38) MEN1KMT2ADRD3DRD2MDM2
SCHEMBL1978952 0.75 DRD3 (0.48) KMT2ADRD3DRD2CHRM1CHRM2
SCHEMBL2002904 0.75 LMNA (0.47) MEN1KMT2AMAPTGSK3BALDH1A1
SCHEMBL31706143 0.75 LMNA (0.47) MEN1KMT2AMAPTGSK3BALDH1A1
SCHEMBL2002901 0.75 LMNA (0.47) MEN1KMT2AMAPTGSK3BALDH1A1
SCHEMBL14729729 0.75 LMNA (0.47) MEN1KMT2AMAPTGSK3BALDH1A1

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-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
EP-2016077-A2 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-01-21 EP disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
EP-1812003-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2007-08-01 EP disclosed
WO-2006046023-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 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-20090253718-A1 Pharmaceutical Compounds GRK3, CNKSR1, CSNK1G3 MEN1 1474/4885KMT2A 3231/4885DRD3 530/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 MEN1 3798/4885KMT2A 2794/4885DRD3 1175/4885

“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.