SCHEMBL15217679

SCHEMBL15217679

c1ccc([C@H]2CC2c2cc(Nc3ccnc(NCc4ccc5[nH]cnc5c4)n3)n[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 11/20 0.51
PAK4 O96013 4/20 0.51
AURKA O14965 1/20 0.47
NEK1 Q96PY6 1/20 0.46
IGF1R P08069 3/20 0.46
PAK3 O75914 6/20 0.45
PAK2 Q13177 6/20 0.45

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
SCHEMBL15217634 0.85 PAK1 (0.69) PAK1PAK4AURKANEK1IGF1R
SCHEMBL15217678 0.83 PAK1 (0.61) PAK1NEK1IGF1RPAK3PAK2
SCHEMBL15209843 0.83 PAK1 (0.61) PAK1NEK1IGF1RPAK3PAK2
SCHEMBL15217660 0.79 PAK1 (0.50) PAK1PAK4AURKANEK1IGF1R
SCHEMBL15217736 0.73 PAK1 (0.60) PAK1PAK4NEK1PAK3PAK2
SCHEMBL15208161 0.73 PAK1 (0.60) PAK1PAK4NEK1PAK3PAK2
SCHEMBL15217669 0.72 IGF1R (0.63) IGF1R
SCHEMBL15217672 0.71 PAK1 (0.61) PAK1PAK4AURKANEK1IGF1R
SCHEMBL15216450 0.71 PAK1 (0.72) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15216452 0.71 PAK1 (0.72) 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 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 22/4885AURKA 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.