SCHEMBL3248741

SCHEMBL3248741

COc1ccc(CCC(C)(C)O)cc1-c1n[nH]c2nc(Nc3ccc(F)cc3F)ncc12

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
MET P08581 1/20 0.49
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
ALK Q9UM73 2/20 0.39
INSR P06213 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 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
SCHEMBL13678746 0.87 EGFR (0.46) MAPK9EGFRERBB2METFGFR1
SCHEMBL13304836 0.86 MAPK9 (0.53) MAPK9EGFRERBB2METFGFR1
SCHEMBL3257071 0.83 MAPK9 (0.64) MAPK9EGFRERBB2METFGFR1
SCHEMBL13304488 0.82 MAPK9 (0.57) MAPK9EGFRERBB2METFGFR1
SCHEMBL13304486 0.82 FGFR1 (0.51) MAPK9EGFRERBB2METFGFR1
SCHEMBL13678735 0.82 MERTK (0.47) MAPK9EGFRERBB2METFGFR1
SCHEMBL13678729 0.81 MAPK9 (0.49) MAPK9EGFRERBB2METFGFR1
SCHEMBL13678734 0.80 LRRK2 (0.49) MAPK9EGFRERBB2METFGFR1
SCHEMBL13678727 0.80 MAPK9 (0.50) MAPK9EGFRERBB2METFGFR1
SCHEMBL3252571 0.80 MAPK9 (0.76) MAPK9EGFRERBB2METFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833477-B1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2010-06-02 EP claimed
EP-1833477-B1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2010-06-02 EP disclosed
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 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-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS IL1R1, IL1A, IL1B MAPK9 2483/4885EGFR 3420/4885ERBB2 3033/4885

“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.