SCHEMBL15058505

SCHEMBL15058505

Nc1nc(NCc2nccc3[nH]ccc23)ncc1-c1cc(C2CC2)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
PAK1 Q13153 5/20 0.43
PAK4 O96013 3/20 0.43
IGF1R P08069 9/20 0.37
NTRK1 P04629 3/20 0.36
PAK3 O75914 2/20 0.36
PAK2 Q13177 2/20 0.36

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
SCHEMBL15059707 0.88 IGF1R (0.38) MKNK1MKNK2ROCK2ROCK1PAK1
SCHEMBL15208674 0.85 ROCK2 (0.41) MKNK1MKNK2ROCK2ROCK1PAK1
SCHEMBL15059155 0.84 MKNK1 (0.53) MKNK1MKNK2ROCK2ROCK1PAK1
SCHEMBL15208256 0.84 ROCK2 (0.40) MKNK1MKNK2ROCK2ROCK1PAK1
SCHEMBL15059363 0.84 MKNK1 (0.41) MKNK1MKNK2ROCK2ROCK1PAK1
SCHEMBL15208562 0.83 CCNT1 (0.41) MKNK1MKNK2ROCK2ROCK1PAK1
SCHEMBL14722792 0.82 ROCK2 (0.40) MKNK1MKNK2ROCK2ROCK1PAK1
SCHEMBL15058643 0.81 PAK1 (0.47) MKNK1MKNK2ROCK2ROCK1PAK1
SCHEMBL15059672 0.81 PAK1 (0.61) MKNK1MKNK2ROCK2ROCK1PAK1
SCHEMBL15059562 0.79 ROCK2 (0.41) MKNK1MKNK2ROCK2ROCK1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794605-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 EP claimed
US-8815877-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-08-26 US claimed
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-07-11 US claimed
WO-2013092940-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO claimed

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 MKNK1 193/4885MKNK2 207/4885ROCK2 107/4885

“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.