SCHEMBL15071193

SCHEMBL15071193

CN(Cc1cncc2[nH]ccc12)c1nccc(Nc2cc(C3CC3)[nH]n2)n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 13/20 0.61
PAK4 O96013 4/20 0.61
AURKA O14965 2/20 0.61
PAK3 O75914 7/20 0.56
PAK2 Q13177 7/20 0.56
PKN1 Q16512 1/20 0.54
IGF1R P08069 2/20 0.48

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
SCHEMBL15217685 0.88 PAK1 (0.62) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15071199 0.84 PAK1 (0.66) PAK1PAK4PAK3PAK2IGF1R
SCHEMBL15071068 0.81 PKN1 (0.79) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15058561 0.80 PAK1 (0.43) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15216583 0.79 PAK1 (0.60) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15058540 0.79 IGF1R (0.40) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15071071 0.79 PAK1 (0.61) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15216590 0.79 PAK1 (0.54) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15216565 0.78 PAK1 (0.77) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15216512 0.77 PAK1 (0.50) PAK1PAK4AURKAPAK3PAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815877-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-08-26 US disclosed
US-8815877-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-08-26 US disclosed
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-07-11 US disclosed
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-07-11 US disclosed
WO-2013092940-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 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-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, PAK3 PAK1 1/4885PAK4 15/4885AURKA 671/4885

“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.