SCHEMBL3228561

SCHEMBL3228561

CCC(O)[C@H](CC)CNC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL3228567 1.00 CYP2D6 (0.48) CYP2D6CYP2C19USP2TSHRLMNA
SCHEMBL3229211 0.86 LMNA (0.50) CYP2D6CYP2C19TSHRLMNA
SCHEMBL3229217 0.86 LMNA (0.50) CYP2D6CYP2C19TSHRLMNA
SCHEMBL1965030 0.83 CYP2D6 (0.41) CYP2D6CYP2C19
SCHEMBL1967425 0.83 CYP2D6 (0.41) CYP2D6CYP2C19
SCHEMBL3232227 0.83 CYP2D6 (0.54) CYP2D6CYP2C19USP2TSHR
SCHEMBL3232233 0.83 CYP2D6 (0.54) CYP2D6CYP2C19USP2TSHR
SCHEMBL1964938 0.80 CYP2D6 (0.38) CYP2D6CYP2C19LMNA
SCHEMBL1965299 0.80 CYP2D6 (0.38) CYP2D6CYP2C19LMNA
SCHEMBL23795382 0.78 CYP2D6 (0.54) CYP2D6CYP2C19USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987251-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-03-24 US disclosed
US-20140045817-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-02-13 US disclosed
US-8575145-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-11-05 US disclosed
EP-2334677-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-10-09 EP disclosed
WO-2010022076-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-25 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-20140045817-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM2, PIM1, PIM3 CYP2D6 1731/4885CYP2C19 2350/4885USP2 3904/4885

“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.