SCHEMBL1971748

SCHEMBL1971748

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.50
CCND1 P24385 13/20 0.50
NAMPT P43490 1/20 0.44
CDK2 P24941 3/20 0.43
GPR84 Q9NQS5 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
TACR2 P21452 2/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL1971783 0.94 CDK4 (0.46) CDK4CCND1CDK2TACR2HDAC1
SCHEMBL1969032 0.92 CDK4 (0.50) CDK4CCND1CDK2SIRT1
SCHEMBL1972018 0.90 CDK4 (0.54) CDK4CCND1NAMPTCDK2GPR84
SCHEMBL1971216 0.88 CDK4 (0.43) CDK4CCND1CDK2TACR2
SCHEMBL1967560 0.87 CDK4 (0.49) CDK4CCND1NAMPTCDK2GPR84
SCHEMBL1966311 0.87 CDK4 (0.48) CDK4CCND1CDK2
SCHEMBL1973622 0.86 CDK4 (0.51) CDK4CCND1NAMPTCDK2GPR84
SCHEMBL1969807 0.83 CDK4 (0.52) CDK4CCND1NAMPTCDK2GPR84
SCHEMBL1970863 0.82 CDK4 (0.50) CDK4CCND1CDK2TACR2
SCHEMBL1969670 0.81 CDK4 (0.53) CDK4CCND1CDK2SIRT1

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 4 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
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

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 3178/4885NAMPT 2090/4885

“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.