SCHEMBL3249333

SCHEMBL3249333

COc1ccc(N2CCOCC2)cc1-c1n[nH]c2nc(Nc3ccc(F)cc3F)ccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.55
MAPK9 P45984 2/20 0.45
ALDH1A1 P00352 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
MAPK10 P53779 1/20 0.42
ATR Q13535 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
LRRK2 Q5S007 1/20 0.42
PRKDC P78527 1/20 0.42
TNIK Q9UKE5 1/20 0.42
TTK P33981 1/20 0.42
EGFR P00533 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
SCHEMBL3246204 0.91 MAPK14 (0.47) MAPK14MAPK9FGFR4LRRK2
SCHEMBL3254571 0.86 MAPK14 (0.53) MAPK14MAPK9
SCHEMBL3249327 0.81 MAPK9 (0.51) MAPK14MAPK9ALDH1A1
SCHEMBL3251993 0.80 MAPK14 (0.47) MAPK14MAPK9
SCHEMBL13678697 0.80 MAPK9 (0.49) MAPK14MAPK9
SCHEMBL16576502 0.80 MAPK14 (0.60) MAPK14MAPK9
SCHEMBL3253064 0.79 MAPK14 (0.46) MAPK14MAPK9
SCHEMBL3251945 0.79 MAPK14 (0.45) MAPK14MAPK9
SCHEMBL13678720 0.78 MAPK9 (0.56) MAPK14MAPK9FGFR1FGFR2FGFR4
SCHEMBL3246009 0.78 MAPK9 (0.48) MAPK14MAPK9

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
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 US 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 MAPK14 2463/4885MAPK9 2483/4885ALDH1A1 497/4885

“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.