SCHEMBL1970781

SCHEMBL1970781

Cc1ccc(-c2nccnc2C(=O)N(CCc2c[nH]c3ccccc23)CC(F)(F)F)cc1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.47
CDK4 P11802 14/20 0.44
CCND1 P24385 14/20 0.44
CDK2 P24941 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
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
SCHEMBL1972531 0.93 TACR2 (0.46) TACR2CDK4CCND1CDK2HDAC1
SCHEMBL2404998 0.90 MPO (0.43) CDK4CCND1
SCHEMBL1966005 0.90 CDK4 (0.50) TACR2CDK4CCND1CDK2MEN1
SCHEMBL1974827 0.90 TACR2 (0.49) TACR2CDK4CCND1CDK2MEN1
SCHEMBL1969885 0.89 TACR2 (0.51) TACR2CDK4CCND1CDK2HDAC1
SCHEMBL1969807 0.88 CDK4 (0.52) TACR2CDK4CCND1CDK2HDAC1
SCHEMBL1972085 0.87 TACR2 (0.46) TACR2CDK4CCND1CDK2HDAC1
SCHEMBL1968745 0.86 CDK4 (0.52) TACR2CDK4CCND1CDK2MEN1
SCHEMBL1967482 0.86 TACR2 (0.48) TACR2CDK4CCND1CDK2MEN1
SCHEMBL1971216 0.84 CDK4 (0.43) TACR2CDK4CCND1CDK2MEN1

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 TACR2 90/4885CDK4 3031/4885CCND1 3178/4885

“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.