SCHEMBL2129979

SCHEMBL2129979

COc1ccc(F)c(F)c1-c1cc(C(=O)N(C)OC)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.40
CTSA P10619 3/20 0.39
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
MLYCD O95822 1/20 0.34
POLB P06746 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
HDAC1 Q13547 1/20 0.34
PLK1 P53350 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL2129346 0.86 GPBAR1 (0.44) KDM4CCTSACDK9GPBAR1
SCHEMBL2128846 0.82 KDM4C (0.40) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL112989 0.76 RAB9A (0.42) KDM4CCTSAKDM4EKDM6BKDM5C
SCHEMBL2126899 0.76 KDM1A (0.54) KDM4CCDK9HDAC1
SCHEMBL4822355 0.74 HTT (0.63) LMNAMAPK1HTTRAB9AMLYCD
SCHEMBL4568348 0.74 MLYCD (0.48) LMNAMAPK1HTTRAB9AMLYCD
SCHEMBL1886467 0.74 MLYCD (0.44) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL29797355 0.74 HTT (0.63) LMNAMAPK1HTTRAB9AMLYCD
SCHEMBL2127438 0.72 CYP1A2 (0.45) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL112637 0.72 KAT6A (0.46) KDM4CKDM4EKDM6BKDM5CKDM2A

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 KDM4C 858/4885CTSA 3258/4885KDM4E 1090/4885

“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.