SCHEMBL110497

SCHEMBL110497

COC(=O)c1ccc(C(=O)N(C)C)c(-c2c(C)nn(C)c2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
LMNA P02545 4/20 0.43
GPBAR1 Q8TDU6 1/20 0.41
CASP3 P42574 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL112734 0.86 POLB (0.49) POLBLMNACASP3ALDH1A1MAPT
SCHEMBL24526595 0.81 POLB (0.48) POLBLMNAGPBAR1CASP3ALDH1A1
SCHEMBL111791 0.78 CDK4 (0.48) POLBLMNAGPBAR1CASP3ALDH1A1
SCHEMBL114066 0.72 JMJD6 (0.60) POLBLMNAHPGDKDM4ESMN1; SMN2
SCHEMBL24526805 0.68 POLB (0.48) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL7636571 0.67 KDM4E (0.49) LMNAALDH1A1MAPTHPGDKDM4E
SCHEMBL24526715 0.67 ATAD2 (0.41) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL24526908 0.67 NOTUM (0.46) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL18561359 0.66 ADORA2A (0.47) LMNAALDH1A1MAPTHPGDKDM4E
SCHEMBL23559707 0.66 ADORA2A (0.47) LMNACASP3ALDH1A1MAPTHPGD

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
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

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 POLB 798/4885LMNA 1019/4885GPBAR1 4040/4885

“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.