SCHEMBL14723478

SCHEMBL14723478

Clc1nccc(Nc2cc(OCC3CC3)[nH]n2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 5/20 0.42
PAK1 Q13153 5/20 0.42
IGF1R P08069 3/20 0.41
NEK1 Q96PY6 1/20 0.39
AKT1 P31749 1/20 0.36
TGFBR1 P36897 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
BMPR2 Q13873 1/20 0.36
STK26 Q9P289 1/20 0.36
STK24 Q9Y6E0 1/20 0.36

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
SCHEMBL14722866 0.80 IGF1R (0.45) PAK4PAK1IGF1RNEK1AKT1
SCHEMBL3338899 0.80 IGF1R (0.42) PAK4IGF1RSTK4STK3
SCHEMBL27773483 0.79 IGF1R (0.42) PAK4PAK1IGF1RNEK1
SCHEMBL4012528 0.78 ITK (0.43) PAK4IGF1RNEK1GSK3AGSK3B
SCHEMBL4015943 0.77 FGFR1 (0.45) IGF1R
SCHEMBL27674569 0.76 ITK (0.40) PAK4PAK1IGF1RNEK1
SCHEMBL15216506 0.76 PAK1 (0.66) PAK4PAK1IGF1R
SCHEMBL1164508 0.76 IGF1R (0.65) PAK4PAK1IGF1RNEK1AKT1
SCHEMBL3937659 0.75 PAK1 (0.42) PAK4PAK1IGF1R
SCHEMBL4006828 0.74 IGF1R (0.47) IGF1R

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
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-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 PAK4 22/4885PAK1 1/4885IGF1R 584/4885

“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.