SCHEMBL15058540

SCHEMBL15058540

CN(Cc1cncc2[nH]ccc12)c1ncc(-c2cc(C3CC3)[nH]n2)c(N)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.40
PAK1 Q13153 8/20 0.39
PAK4 O96013 3/20 0.39
AURKA O14965 2/20 0.39
MKNK1 Q9BUB5 3/20 0.38
MKNK2 Q9HBH9 3/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PKN1 Q16512 1/20 0.35
PAK3 O75914 5/20 0.34
PAK2 Q13177 5/20 0.34
ATR Q13535 1/20 0.30

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
SCHEMBL15208496 0.90 IGF1R (0.43) IGF1RPAK1PAK4AURKAMKNK1
SCHEMBL15091646 0.82 PKN1 (0.51) IGF1RPAK1PAK4AURKAMKNK1
SCHEMBL15059363 0.81 MKNK1 (0.41) IGF1RPAK1PAK4MKNK1MKNK2
SCHEMBL15057970 0.80 PAK1 (0.39) IGF1RPAK1PAK4AURKAMKNK1
SCHEMBL15071193 0.79 PAK1 (0.61) IGF1RPAK1PAK4AURKAPKN1
SCHEMBL15209494 0.79 PAK1 (0.53) IGF1RPAK1PAK4AURKAMKNK1
SCHEMBL15209193 0.78 PAK1 (0.50) IGF1RPAK1PAK4AURKAMKNK1
SCHEMBL15208662 0.77 PAK1 (0.41) IGF1RPAK1PAK4AURKAMKNK1
SCHEMBL15059463 0.77 PKN1 (0.43) IGF1RPAK1PAK4AURKAMKNK1
SCHEMBL15058415 0.77 IGF1R (0.34) IGF1RPAK1PAK4AURKA

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 6 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
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

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 IGF1R 505/4885PAK1 1/4885PAK4 15/4885

“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.