SCHEMBL109515

SCHEMBL109515

CCNCc1cncc(-c2cc(C(=O)OC)ccc2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
CYP2A6 P11509 1/20 0.37
CYP19A1 P11511 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
VNN1 O95497 1/20 0.35
DYRK1A Q13627 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL2141339 0.84 DYRK1A (0.35) KCNH2CYP11B1CYP11B2CYP2A6CYP19A1
SCHEMBL2141827 0.81 LMNA (0.38) KCNH2CYP11B1CYP11B2CYP2A6CYP19A1
SCHEMBL111158 0.80 CDK1 (0.38) KCNH2KDM4E
SCHEMBL110896 0.80 ALDH1A1 (0.43) CYP11B1CYP11B2CYP2A6CYP19A1ALDH1A1
SCHEMBL2141346 0.80 KCNH2 (0.37) KCNH2CYP11B1CYP11B2DYRK1A
SCHEMBL2141333 0.78 ABL1 (0.37) LMNAKDM4EALDH1A1DYRK1A
SCHEMBL2127568 0.77 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1LMNAKDM4E
SCHEMBL2127831 0.75 SYK (0.36) KCNH2HPGDALDH1A1DYRK1A
SCHEMBL8155327 0.72 PTGS2 (0.54) HPGDKDM4EALDH1A1
SCHEMBL7569920 0.71 TDP1 (0.53) HPGDLMNAKDM4EALDH1A1

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 8 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
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 KCNH2 2358/4885CYP11B1 670/4885CYP11B2 780/4885

“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.