SCHEMBL1972018

SCHEMBL1972018

CCN(CCc1c[nH]c2ccccc12)C(=O)c1cncnc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.54
CCND1 P24385 13/20 0.54
CDK2 P24941 3/20 0.46
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.43
HTR6 P50406 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
LMNA P02545 1/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL1970863 0.93 CDK4 (0.50) CDK4CCND1CDK2ALDH1A1HTR1A
SCHEMBL1969670 0.92 CDK4 (0.53) CDK4CCND1CDK2ALDH1A1HTR1A
SCHEMBL1971522 0.91 CDK4 (0.52) CDK4CCND1CDK2ALDH1A1HTR1A
SCHEMBL1971748 0.90 CDK4 (0.50) CDK4CCND1CDK2NAMPTGPR84
SCHEMBL1967560 0.89 CDK4 (0.49) CDK4CCND1CDK2NAMPTGPR84
SCHEMBL1969851 0.88 CDK4 (0.45) CDK4CCND1CDK2ALDH1A1HTR1A
SCHEMBL1975810 0.87 CDK4 (0.47) CDK4CCND1CDK2ALDH1A1HTR1A
SCHEMBL1971447 0.87 CDK4 (0.53) CDK4CCND1CDK2NAMPTALDH1A1
SCHEMBL1972625 0.87 CDK4 (0.46) CDK4CCND1CDK2ALDH1A1HTR1A
SCHEMBL1971514 0.86 CDK4 (0.51) CDK4CCND1CDK2ALDH1A1HTR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 CDK4 3031/4885CCND1 3178/4885CDK2 2711/4885

“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.