SCHEMBL111502

SCHEMBL111502

COC(=O)c1ccnc(-c2cncc(C=O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
KDM6B O15054 2/20 0.55
KDM5C P41229 2/20 0.55
KDM4C Q9H3R0 2/20 0.55
KDM2A Q9Y2K7 2/20 0.55
KDM3A Q9Y4C1 2/20 0.55
JMJD6 Q6NYC1 1/20 0.49
ABL1 P00519 2/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM5B Q9UGL1 1/20 0.43
ATM Q13315 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 1/20 0.41
RAB9A P51151 2/20 0.40
NEK1 Q96PY6 1/20 0.40

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
SCHEMBL3713431 0.83 KDM4E (0.58) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3713394 0.80 ABL1 (0.66) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30151105 0.80 ABL1 (0.66) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1579012 0.78 KDM4E (0.67) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3709550 0.78 KDM4E (0.52) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL2475641 0.77 ATM (0.62) KDM4EL3MBTL1ALDH1A1ATMCYP11B1
SCHEMBL29525113 0.77 ATM (0.62) KDM4EL3MBTL1ALDH1A1ATMCYP11B1
SCHEMBL18546896 0.77 ALDH1A1 (0.51) ALDH1A1ATMRAB9AERN1
SCHEMBL70279 0.77 KDM4E (0.86) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29894587 0.77 KDM4E (0.86) KDM4EKDM6BKDM5CKDM4CKDM2A

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 5 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
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
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP 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 KDM4E 1090/4885KDM6B 992/4885KDM5C 829/4885

“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.