SCHEMBL111644

SCHEMBL111644

COC(=O)c1ccc(C#N)c(-c2c(C)ncc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KIF11 P52732 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL110794 0.81 CYP11B1 (0.49) KIF11CCNB2CDK1CCNB1MDH2
SCHEMBL6985555 0.75 KDM4E (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL2129650 0.74 AR (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL8155327 0.73 PTGS2 (0.54) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL111791 0.73 CDK4 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL7571390 0.72 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2TDP1TP53
SCHEMBL7569920 0.72 TDP1 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2TDP1
SCHEMBL112011 0.72 ALOX15 (0.48) ALDH1A1MAPTALOX15HTTCDK1
SCHEMBL16502466 0.71 KIF11 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL2127568 0.71 CYP11B1 (0.60) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA

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
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 GPR84 3561/4885ALDH1A1 3598/4885KDM4E 1090/4885

“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.