SCHEMBL2128805

SCHEMBL2128805

CON(C)C(=O)c1cc(Cl)cc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.39
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 1/20 0.36
TPMT P51580 1/20 0.34
CLK1 P49759 2/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACLY P53396 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.31
HCAR1 Q9BXC0 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
GMNN O75496 1/20 0.31
HTR3B O95264 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2250431 0.88 TPMT (0.45) MLYCDPKMRAB9ASLC6A3TPMT
SCHEMBL29256023 0.81 TPMT (0.53) MLYCDPKMRAB9ASLC6A3TPMT
SCHEMBL19707533 0.80 MEN1 (0.39) MLYCDPKMRAB9ASLC6A3TPMT
SCHEMBL1515802 0.80 GPBAR1 (0.43) MLYCDPKMRAB9ASLC6A3TPMT
SCHEMBL26146652 0.80 ALDH1A1 (0.49) MLYCDPKMRAB9AMEN1KMT2A
SCHEMBL4757590 0.76 MLYCD (0.49) MLYCDGPBAR1
SCHEMBL1438241 0.75 ALDH1A1 (0.50) RAB9ATPMTMEN1KMT2AHTR3E
SCHEMBL29672168 0.75 ALDH1A1 (0.50) RAB9ATPMTMEN1KMT2AHTR3E
SCHEMBL111914 0.75 HPGD (0.51) MLYCDPKMRAB9AMEN1KMT2A
SCHEMBL1940999 0.75 MLYCD (0.43) MLYCDSLC6A3CLK1DYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 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 (1 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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 MLYCD 3812/4885PKM 564/4885RAB9A 2341/4885

“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.