SCHEMBL15216591

SCHEMBL15216591

Cc1cc(Nc2nc(N(C)Cc3ccc4[nH]cnc4c3Cl)ncc2F)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 7/20 0.57
PAK4 O96013 7/20 0.57
AURKA O14965 5/20 0.57
PKN1 Q16512 1/20 0.49
IGF1R P08069 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NTRK1 P04629 6/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
PLK4 O00444 3/20 0.38

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
SCHEMBL15216573 0.92 PAK1 (0.59) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15216549 0.90 PAK1 (0.54) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15216551 0.90 PAK1 (0.54) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15208636 0.88 PAK1 (0.75) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15216505 0.86 PAK1 (0.65) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15216607 0.79 PKN1 (0.54) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15216579 0.76 PAK1 (0.78) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL14723524 0.75 PAK1 (0.77) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15216599 0.75 PAK1 (0.74) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15209009 0.75 AURKA (0.42) PAK1PAK4AURKAPKN1JAK2

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.