SCHEMBL14723524

SCHEMBL14723524

CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc(C(F)F)[nH]n2)n1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 15/20 0.77
PAK4 O96013 9/20 0.77
AURKA O14965 6/20 0.77
PKN1 Q16512 2/20 0.71
PAK3 O75914 4/20 0.36
PAK2 Q13177 4/20 0.36
IGF1R P08069 2/20 0.35
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL15209031 0.87 PAK1 (1.00) PAK1PAK4AURKAPKN1PAK3
SCHEMBL15216579 0.85 PAK1 (0.78) PAK1PAK4AURKAPKN1PAK3
SCHEMBL15216550 0.85 PAK1 (0.74) PAK1PAK4AURKAPKN1PAK3
SCHEMBL15216545 0.84 PAK1 (0.71) PAK1PAK4AURKAPKN1PAK3
SCHEMBL15216562 0.83 PAK1 (0.71) PAK1PAK4AURKAPKN1PAK3
SCHEMBL15209131 0.83 PAK1 (1.00) PAK1PAK4AURKAPKN1PAK3
SCHEMBL15216515 0.83 PKN1 (1.00) PAK1PAK4AURKAPKN1PAK3
SCHEMBL15216556 0.83 PAK1 (0.80) PAK1PAK4AURKAPKN1PAK3
SCHEMBL15216560 0.82 PAK1 (0.79) PAK1PAK4AURKAPKN1PAK3
SCHEMBL15208579 0.82 PAK1 (0.79) PAK1PAK4AURKAPKN1PAK3

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 PAK1 1/4885PAK4 22/4885AURKA 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.