SCHEMBL14722650

SCHEMBL14722650

Clc1nccc(Nc2cc(C3CCCO3)[nH]n2)n1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 5/20 0.59
▸ PAK1 Q13153 5/20 0.59
▸ AURKA O14965 1/20 0.59
▸ IGF1R P08069 6/20 0.47
▸ NEK1 Q96PY6 1/20 0.46

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
SCHEMBL14723540 0.83 IGF1R (0.60) PAK4PAK1IGF1RNEK1
SCHEMBL14723204 0.83 IGF1R (0.60) PAK4PAK1IGF1RNEK1
SCHEMBL1164508 0.82 IGF1R (0.65) PAK4PAK1IGF1RNEK1
SCHEMBL24065100 0.80 IGF1R (0.52) PAK4PAK1IGF1RNEK1
SCHEMBL14723217 0.80 IGF1R (0.52) PAK4PAK1IGF1RNEK1
SCHEMBL22327788 0.78 AURKA (0.47) PAK4PAK1AURKAIGF1R
SCHEMBL15091653 0.77 PAK1 (0.52) PAK4PAK1IGF1RNEK1
SCHEMBL15091442 0.77 PAK1 (0.52) PAK4PAK1IGF1RNEK1
SCHEMBL15091647 0.77 PAK1 (0.52) PAK4PAK1IGF1RNEK1
SCHEMBL15091499 0.77 PAK1 (0.52) PAK4PAK1IGF1RNEK1

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 9 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-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
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
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 1/4885AURKA 395/4885

“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.

Send feedback