SCHEMBL2127568

SCHEMBL2127568

COC(=O)c1ccc(C#N)c(-c2cccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.60
CYP11B2 P19099 3/20 0.60
CYP19A1 P11511 1/20 0.60
SLC2A1 P11166 1/20 0.56
ALDH1A1 P00352 1/20 0.52
NEK1 Q96PY6 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ABL1 P00519 2/20 0.48
BCR P11274 1/20 0.48
SRC P12931 1/20 0.48
SCN9A Q15858 1/20 0.47
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CFTR P13569 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL8155327 0.85 PTGS2 (0.54) ALDH1A1NEK1KDM4EMAPT
SCHEMBL3538604 0.81 CTSD (0.58) CYP11B1CYP11B2SLC2A1ALDH1A1LMNA
SCHEMBL110896 0.81 ALDH1A1 (0.43) CYP11B1CYP11B2CYP19A1SLC2A1ALDH1A1
SCHEMBL7084334 0.80 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1SLC2A1ALDH1A1
SCHEMBL8179683 0.79 ALDH1A1 (0.61) CYP11B1CYP11B2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL7569920 0.79 TDP1 (0.53) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL112011 0.78 ALOX15 (0.48) CYP11B1CYP11B2CYP19A1SLC2A1ALDH1A1
SCHEMBL29663125 0.77 CA1 (0.54) KDM4EMAPT
SCHEMBL30877906 0.77 CA1 (0.54) KDM4EMAPT
SCHEMBL18355729 0.77 MKNK1 (0.76) CYP11B1CYP11B2CYP19A1SLC2A1ALDH1A1

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 6 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
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 CYP11B1 670/4885CYP11B2 780/4885CYP19A1 668/4885

“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.