SCHEMBL2931446

SCHEMBL2931446

CN1CCC(N(C)C(=O)c2ccc(Cl)c(Nc3cncc(-c4ccc(OC(=O)C(F)(F)F)cc4)n3)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.43
PIM3 Q86V86 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PFKFB3 Q16875 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL2970753 0.91 PIM3 (0.48) MCHR1PIM3PFKFB3
Trifluoroacetic Acid SCHEMBL2931444 0.90 MCHR1 (0.42) MCHR1PIM3USP30PFKFB3HRH3
SCHEMBL13515287 0.89 MCHR1 (0.45) MCHR1PIM3USP30PFKFB3HRH3
SCHEMBL2933168 0.85 PFKFB3 (0.40) MCHR1PFKFB3
SCHEMBL2933881 0.83 MCHR1 (0.45) MCHR1USP30PFKFB3HRH3
SCHEMBL2935031 0.82 PIM3 (0.40) PIM3
Trifluoroacetic Acid SCHEMBL2970750 0.81 PIM3 (0.46) MCHR1PIM3PFKFB3HRH3
SCHEMBL13515309 0.80 MCHR1 (0.44) MCHR1PIM3PFKFB3HRH3
SCHEMBL13515293 0.80 PIM3 (0.49) MCHR1PIM3PFKFB3HRH3
SCHEMBL2931441 0.79 BRAF (0.46) MCHR1PIM3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 MCHR1 1686/4885PIM3 2131/4885USP30 4204/4885

“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.