SCHEMBL15217671

SCHEMBL15217671

Fc1cc2[nH]cnc2cc1CNc1nccc(Nc2cc(C3CC3)[nH]n2)n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 7/20 0.60
PAK4 O96013 5/20 0.60
PAK3 O75914 1/20 0.57
PAK2 Q13177 1/20 0.57
CCNK O75909 1/20 0.54
CDK13 Q14004 1/20 0.54
CDK12 Q9NYV4 1/20 0.54
AURKA O14965 2/20 0.53
NEK1 Q96PY6 1/20 0.52
IGF1R P08069 3/20 0.52
NTRK1 P04629 1/20 0.51

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
SCHEMBL15217672 0.90 PAK1 (0.61) PAK1PAK4PAK3PAK2AURKA
SCHEMBL15217688 0.89 PAK1 (0.60) PAK1PAK4PAK3PAK2AURKA
SCHEMBL15209036 0.87 PAK1 (0.60) PAK1PAK4PAK3PAK2AURKA
SCHEMBL15217634 0.85 PAK1 (0.69) PAK1PAK4PAK3PAK2AURKA
SCHEMBL15217649 0.84 PAK1 (0.63) PAK1PAK4PAK3PAK2CCNK
SCHEMBL15216608 0.84 PAK1 (0.68) PAK1PAK4PAK3PAK2AURKA
SCHEMBL15216541 0.84 PAK1 (0.57) PAK1PAK4CCNKCDK13CDK12
SCHEMBL15217684 0.81 PAK1 (0.61) PAK1PAK4CCNKCDK13CDK12
SCHEMBL15071031 0.81 PAK1 (0.58) PAK1PAK4CCNKCDK13CDK12
SCHEMBL15209078 0.81 PAK1 (0.78) PAK1PAK4PAK3PAK2AURKA

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 22/4885PAK3 6/4885

“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.