SCHEMBL15071040

SCHEMBL15071040

C[C@@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 15/20 1.00
PAK3 O75914 13/20 1.00
PAK2 Q13177 13/20 1.00
PAK4 O96013 1/20 0.67
NTRK1 P04629 1/20 0.62
NEK1 Q96PY6 1/20 0.52

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
SCHEMBL15071039 1.00 PAK1 (1.00) PAK1PAK3PAK2PAK4NTRK1
SCHEMBL15059329 0.91 PAK1 (1.00) PAK1PAK3PAK2PAK4NTRK1
SCHEMBL15060160 0.91 PAK1 (1.00) PAK1PAK3PAK2PAK4NTRK1
SCHEMBL15071033 0.89 PAK1 (1.00) PAK1PAK3PAK2PAK4NTRK1
SCHEMBL15071035 0.89 PAK1 (1.00) PAK1PAK3PAK2PAK4NTRK1
SCHEMBL15071205 0.89 PAK1 (1.00) PAK1PAK3PAK2PAK4NTRK1
SCHEMBL15091476 0.86 PAK1 (0.76) PAK1PAK3PAK2PAK4NTRK1
SCHEMBL15058981 0.86 PAK1 (0.76) PAK1PAK3PAK2PAK4NTRK1
SCHEMBL15058802 0.86 PAK1 (0.76) PAK1PAK3PAK2PAK4NTRK1
SCHEMBL15071041 0.86 PAK1 (0.75) PAK1PAK3PAK2PAK4NTRK1

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 7 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-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
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 1/4885PAK3 3/4885PAK2 14/4885

“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.