SCHEMBL111465

SCHEMBL111465

COC(=O)c1ccnc(-c2cncc3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
KDM6B O15054 1/20 0.53
KDM5C P41229 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
KDM3A Q9Y4C1 1/20 0.53
JMJD6 Q6NYC1 1/20 0.48
KDM5B Q9UGL1 1/20 0.47
CDK4 P11802 2/20 0.45
CCNA2 P20248 2/20 0.45
CCND1 P24385 2/20 0.45
CDK2 P24941 2/20 0.45
CCND3 P30281 2/20 0.45
CCNA1 P78396 2/20 0.45
CDK6 Q00534 2/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
ABL1 P00519 1/20 0.45

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
SCHEMBL2143636 0.82 CDK4 (0.45) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29141542 0.79 KDM4E (0.58) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL13076260 0.78 CYP17A1 (0.46) KDM4EALOX15HTTNPC1HPGD
SCHEMBL16502633 0.78 KDM4E (0.51) KDM4ECDK1CCNB1ALOX15HTT
SCHEMBL3713397 0.76 KDM4E (0.58) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL28490524 0.76 KDM4C (0.61) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL70279 0.76 KDM4E (0.86) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29894587 0.76 KDM4E (0.86) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL23552520 0.75 KDM4C (0.60) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL31211671 0.75 KDM4C (0.60) 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 9 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
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
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.