SCHEMBL15216502

SCHEMBL15216502

CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc(OCc3ccccc3)[nH]n2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 11/20 0.66
PAK4 O96013 9/20 0.66
AURKA O14965 7/20 0.66
PKN1 Q16512 2/20 0.57
ITK Q08881 1/20 0.35
IGF1R P08069 3/20 0.34
FGFR1 P11362 2/20 0.34
KDR P35968 2/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL15216543 0.90 PAK1 (0.64) PAK1PAK4AURKAPKN1ITK
SCHEMBL15216545 0.89 PAK1 (0.71) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15216550 0.89 PAK1 (0.74) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15216527 0.87 PAK1 (0.68) PAK1PAK4AURKAPKN1ITK
SCHEMBL15208221 0.87 PAK1 (0.68) PAK1PAK4AURKAPKN1ITK
SCHEMBL15216579 0.82 PAK1 (0.78) PAK1PAK4AURKAPKN1ITK
SCHEMBL14723524 0.80 PAK1 (0.77) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15216599 0.80 PAK1 (0.74) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15209131 0.80 PAK1 (1.00) PAK1PAK4AURKAPKN1IGF1R
SCHEMBL15209031 0.79 PAK1 (1.00) PAK1PAK4AURKAPKN1IGF1R

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.