SCHEMBL15216581

SCHEMBL15216581

c1cc(Nc2cc(C3CC3)[nH]n2)nc(N(Cc2ccc3[nH]cnc3c2)C2CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 8/20 0.57
PAK4 O96013 3/20 0.57
AURKA O14965 2/20 0.57
PAK3 O75914 3/20 0.51
PAK2 Q13177 3/20 0.51
AKT1 P31749 1/20 0.46
TGFBR1 P36897 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
STK4 Q13043 1/20 0.46
STK3 Q13188 1/20 0.46
BMPR2 Q13873 1/20 0.46
STK26 Q9P289 1/20 0.46
STK24 Q9Y6E0 1/20 0.46
NEK1 Q96PY6 1/20 0.45
PKN1 Q16512 1/20 0.44
IGF1R P08069 1/20 0.44

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
SCHEMBL15216592 0.95 PAK1 (0.54) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15217663 0.88 PAK1 (0.70) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15216447 0.88 PAK1 (0.59) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15216540 0.86 PAK1 (0.57) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15208620 0.85 PAK1 (0.55) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15216602 0.84 PAK1 (0.58) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15216546 0.83 PAK1 (0.61) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15216604 0.82 IGF1R (0.44) PAK1PAK4AURKAIGF1R
SCHEMBL15217634 0.82 PAK1 (0.69) PAK1PAK4AURKAPAK3PAK2
SCHEMBL15209690 0.77 PAK1 (0.70) 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 4 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-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
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.