SCHEMBL2129346

SCHEMBL2129346

COc1cccc(F)c1-c1cc(C(=O)N(C)OC)ccn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.44
MAP4K1 Q92918 9/20 0.41
KDM4C Q9H3R0 2/20 0.40
CDK9 P50750 1/20 0.40
HTR5A P47898 1/20 0.39
CTSA P10619 2/20 0.39
LRRK2 Q5S007 1/20 0.39
NTRK1 P04629 2/20 0.38
MAP4K2 Q12851 1/20 0.38
STK4 Q13043 1/20 0.38

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
SCHEMBL2128846 0.92 KDM4C (0.40) GPBAR1KDM4C
SCHEMBL2129979 0.86 KDM4C (0.40) GPBAR1KDM4CCDK9CTSA
SCHEMBL2126899 0.81 KDM1A (0.54) KDM4CCDK9
SCHEMBL112637 0.75 KAT6A (0.46) KDM4C
SCHEMBL1886467 0.74 MLYCD (0.44) KDM4C
SCHEMBL112420 0.73 ALDH1A1 (0.48) MAP4K1CDK9
SCHEMBL2127438 0.72 CYP1A2 (0.45) GPBAR1KDM4C
SCHEMBL15281239 0.72 KMT2A (0.50)
SCHEMBL2145070 0.71 KCNK3 (0.46) KDM4CCTSA
SCHEMBL29626607 0.71 KCNK3 (0.46) KDM4CCTSA

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 GPBAR1 4040/4885MAP4K1 133/4885KDM4C 858/4885

“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.