SCHEMBL15216600

SCHEMBL15216600

CN(Cc1ccc2[nH]cnc2c1)c1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.52
AURKA O14965 2/20 0.52
PAK4 O96013 2/20 0.52
IGF1R P08069 7/20 0.51
NTRK1 P04629 5/20 0.46
JAK2 O60674 1/20 0.45
NUAK1 O60285 1/20 0.42
PKN1 Q16512 1/20 0.42
PAK3 O75914 1/20 0.41
PAK2 Q13177 1/20 0.41
ULK1 O75385 1/20 0.41
PDK1 Q15118 1/20 0.41
ULK2 Q8IYT8 1/20 0.41

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
SCHEMBL15216601 0.91 NTRK1 (0.46) PAK1AURKAPAK4IGF1RNTRK1
SCHEMBL15216604 0.90 IGF1R (0.44) PAK1AURKAPAK4IGF1RNTRK1
SCHEMBL15217663 0.85 PAK1 (0.70) PAK1AURKAPAK4IGF1RPKN1
SCHEMBL15208636 0.84 PAK1 (0.75) PAK1AURKAPAK4IGF1RNTRK1
SCHEMBL15209355 0.79 PAK1 (0.53) PAK1AURKAPAK4IGF1RPKN1
SCHEMBL15216594 0.77 IGF1R (0.58) PAK1AURKAPAK4IGF1RNTRK1
SCHEMBL15216608 0.77 PAK1 (0.68) PAK1AURKAPAK4IGF1RNTRK1
SCHEMBL15216505 0.77 PAK1 (0.65) PAK1AURKAPAK4IGF1RNTRK1
SCHEMBL15216461 0.76 PAK1 (0.60) PAK1AURKAPAK4IGF1RNTRK1
SCHEMBL15216468 0.76 NTRK1 (0.62) PAK1IGF1RNTRK1JAK2PAK3

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 1/4885AURKA 395/4885PAK4 22/4885

“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.