SCHEMBL14723565

SCHEMBL14723565

Cc1nn(C2CCCCO2)c2cccc(CN)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
RET P07949 6/20 0.37
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
DGAT2 Q96PD7 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAP3K5 Q99683 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
EGFR P00533 1/20 0.32
BTK Q06187 1/20 0.32
ATR Q13535 1/20 0.32
DRD2 P14416 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
SCHEMBL14723110 0.85 EGFR (0.35) GAARETCYP4F2CYP4A11DGAT2
SCHEMBL14723243 0.84 CYP4F2 (0.37) GAARETCYP4F2CYP4A11DGAT2
SCHEMBL15208830 0.83 RXRA (0.38) GAACYP4F2CYP4A11DGAT2RXRA
Ammonia Solution, Strong SCHEMBL28811804 0.83 GAA (0.42) GAARETCYP4F2CYP4A11DGAT2
SCHEMBL14722638 0.82 CYP4F2 (0.35) GAARETCYP4F2CYP4A11DGAT2
SCHEMBL30950290 0.81 CYP4F2 (0.41) GAARETCYP4F2CYP4A11DGAT2
SCHEMBL27227964 0.81 GAA (0.44) GAARETCYP4F2CYP4A11DGAT2
SCHEMBL30861031 0.81 GAA (0.44) GAARETCYP4F2CYP4A11DGAT2
SCHEMBL14723470 0.81 GAA (0.40) GAARETCYP4F2CYP4A11DGAT2
SCHEMBL14722738 0.80 GAA (0.40) GAARETCYP4F2CYP4A11DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 GAA 3564/4885RET 97/4885CYP4F2 4881/4885

“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.