SCHEMBL4432271

SCHEMBL4432271

COc1cc(N2CCOCC2)ccc1Nc1cc(NCc2ccccn2)c(C(F)(F)F)cn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.64
MAPK9 P45984 6/20 0.64
PTK2 Q05397 3/20 0.64
ULK1 O75385 1/20 0.63
TTK P33981 3/20 0.49
EGFR P00533 3/20 0.47
ALK Q9UM73 2/20 0.45
INSR P06213 1/20 0.45

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
SCHEMBL12886760 0.89 MAPK10 (0.66) MAPK10MAPK9PTK2ULK1TTK
SCHEMBL12886415 0.88 MAPK10 (0.53) MAPK10MAPK9PTK2ULK1TTK
SCHEMBL12886660 0.88 ULK1 (0.76) MAPK10MAPK9PTK2ULK1TTK
SCHEMBL15692566 0.86 MAPK10 (0.49) MAPK10MAPK9PTK2ULK1
SCHEMBL12886766 0.84 MAPK10 (0.62) MAPK10MAPK9PTK2ULK1TTK
SCHEMBL12886497 0.84 MAPK10 (0.72) MAPK10MAPK9PTK2ULK1TTK
SCHEMBL18559458 0.83 MAPK10 (0.61) MAPK10MAPK9PTK2ULK1TTK
SCHEMBL18559528 0.83 MAPK10 (0.58) MAPK10MAPK9PTK2ULK1TTK
SCHEMBL12901035 0.82 PTK2 (0.63) MAPK10MAPK9PTK2ULK1
SCHEMBL18559526 0.82 MAPK10 (0.76) MAPK10MAPK9PTK2ULK1TTK

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 US disclosed
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 US disclosed
EP-2134689-B1 INHIBITORS OF FOCAL ADHESION KINASE SCRIPPS RESEARCH INST (US) 2014-04-23 EP disclosed
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
US-8501763-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-06 US disclosed
US-8501763-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-06 US disclosed
US-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-24 US disclosed
US-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-24 US disclosed
EP-2134689-A2 INHIBITORS OF FOCAL ADHESION KINASE The Scripps Research Institute (US) 2009-12-23 EP disclosed
WO-2008115369-A2 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-25 WO disclosed
WO-2008115369-A2 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-25 WO 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 (2 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-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 MAPK10 590/4885MAPK9 239/4885PTK2 1/4885
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 MAPK10 590/4885MAPK9 239/4885PTK2 1/4885

“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.