SCHEMBL15217675

SCHEMBL15217675

c1cc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c2cc[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 9/20 0.67
PAK4 O96013 3/20 0.67
NEK1 Q96PY6 1/20 0.57
IGF1R P08069 3/20 0.55
PAK3 O75914 4/20 0.55
PAK2 Q13177 4/20 0.55

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
SCHEMBL15208398 0.96 PAK1 (0.62) PAK1PAK4NEK1IGF1RPAK3
SCHEMBL15217680 0.96 PAK1 (0.62) PAK1PAK4NEK1IGF1RPAK3
SCHEMBL15216513 0.92 PAK1 (0.56) PAK1PAK4NEK1IGF1RPAK3
SCHEMBL15217682 0.90 PAK1 (0.56) PAK1PAK4NEK1IGF1RPAK3
SCHEMBL15216467 0.90 PAK1 (0.58) PAK1PAK4NEK1IGF1RPAK3
SCHEMBL15216457 0.88 PAK1 (0.56) PAK1PAK4NEK1IGF1RPAK3
SCHEMBL15208936 0.88 PAK1 (0.56) PAK1PAK4NEK1IGF1RPAK3
SCHEMBL15216455 0.88 PAK1 (0.56) PAK1PAK4NEK1IGF1RPAK3
SCHEMBL15210212 0.88 PAK1 (0.56) PAK1PAK4NEK1IGF1RPAK3
SCHEMBL15210009 0.88 PAK1 (0.56) PAK1PAK4NEK1IGF1RPAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 22/4885NEK1 94/4885

“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.