SCHEMBL14723110

SCHEMBL14723110

COc1nn(C2CCCCO2)c2cccc(CN)c12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
BTK Q06187 1/20 0.35
RET P07949 1/20 0.34
CYP4F2 P78329 5/20 0.33
CYP4A11 Q02928 5/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 2/20 0.32
DGAT2 Q96PD7 1/20 0.32
PDE10A Q9Y233 1/20 0.32
RAB9A P51151 1/20 0.31
DRD1 P21728 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ATR Q13535 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
SCHEMBL23331750 0.89 EGFR (0.34) EGFRBTKRETCYP4F2CYP4A11
SCHEMBL14723565 0.85 GAA (0.41) EGFRBTKRETCYP4F2CYP4A11
SCHEMBL14722724 0.83 RET (0.36) EGFRBTKRETCYP4F2CYP4A11
SCHEMBL14723243 0.74 CYP4F2 (0.37) EGFRBTKRETCYP4F2CYP4A11
SCHEMBL31190591 0.74 CYP4F2 (0.35) EGFRBTKRETCYP4F2CYP4A11
SCHEMBL30540754 0.74 EGFR (0.37) EGFRBTKRETCYP4F2CYP4A11
SCHEMBL3868044 0.73 RXRA (0.43) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15208830 0.72 RXRA (0.38) EGFRBTKCYP4F2CYP4A11RXRA
SCHEMBL30950290 0.72 CYP4F2 (0.41) RETCYP4F2CYP4A11RXRARXRB
SCHEMBL31190681 0.71 CYP4F2 (0.35) RETCYP4F2CYP4A11RXRARXRB

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 EGFR 952/4885BTK 817/4885RET 97/4885

“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.