SCHEMBL2617834

SCHEMBL2617834

N#Cc1ccc(N2CCN(C(=O)CO[C@H]3CC[C@H](Oc4ccc(C#N)c(C(F)(F)F)c4)CC3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
TIPARP Q7Z3E1 13/20 0.47
PANK3 Q9H999 4/20 0.47
PRKAA2 P54646 1/20 0.46
IDE P14735 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL2120603 1.00 AR (0.50) ARTIPARPPANK3PRKAA2IDE
SCHEMBL2120802 0.92 SMN1; SMN2 (0.51) ARTIPARPPRKAA2IDESMN1; SMN2
SCHEMBL2617832 0.92 SMN1; SMN2 (0.51) ARTIPARPPRKAA2IDESMN1; SMN2
SCHEMBL2617777 0.92 SMN1; SMN2 (0.51) ARTIPARPPRKAA2IDESMN1; SMN2
SCHEMBL2617778 0.91 PRKAA2 (0.42) ARTIPARPPRKAA2IDESMN1; SMN2
SCHEMBL2120388 0.91 PRKAA2 (0.42) ARTIPARPPRKAA2IDESMN1; SMN2
SCHEMBL2617835 0.91 PRKAA2 (0.42) ARTIPARPPRKAA2IDESMN1; SMN2
SCHEMBL2617866 0.91 AR (0.46) ARTIPARPPANK3PRKAA2
SCHEMBL2119410 0.91 AR (0.46) ARTIPARPPANK3PRKAA2
SCHEMBL2121505 0.89 TIPARP (0.44) TIPARPPANK3PRKAA2

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-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 AR 4346/4885TIPARP 945/4885PANK3 1957/4885

“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.