SCHEMBL4130129

SCHEMBL4130129

CN(CC(c1ccc(Cl)cc1)c1ccc(Br)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
CNR1 P21554 2/20 0.36
MT-CO2 P00403 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
GAA P10253 1/20 0.36
MCHR1 Q99705 1/20 0.36
AOC3 Q16853 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1977769 0.88 FPR3 (0.37) KMT2AMEN1FPR3FPR2CYP2D6
SCHEMBL11989470 0.86 ALDH1A1 (0.43) KMT2AMEN1POLBCYP2D6MAPT
SCHEMBL31622222 0.82 POLB (0.44) KMT2APPARAPPARGMEN1POLB
SCHEMBL4352299 0.81 AOC3 (0.53) KMT2APPARAUTS2RMEN1MT-CO2
SCHEMBL1979471 0.81 MEN1 (0.43) KMT2AMEN1FPR3FPR2CYP1A2
SCHEMBL8007152 0.81 TACR1 (0.49) KMT2AMEN1
SCHEMBL27952291 0.80 GABBR2 (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL27952292 0.80 GABBR2 (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4132974 0.79 AAK1 (0.44) AAK1
SCHEMBL11989473 0.77 SLC6A4 (0.41) KMT2AMEN1CYP2D6MAPTCYP2C19

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-20090124610-A1 PHARMACEUTICAL COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-05-14 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-2007125320-A1 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 (3 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 KMT2A 3231/4885PPARA 2621/4885PPARG 1487/4885
US-20090124610-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, CDK1 KMT2A 1371/4885PPARA 2748/4885PPARG 1214/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 KMT2A 2794/4885PPARA 2387/4885PPARG 1697/4885

“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.