SCHEMBL4339786

SCHEMBL4339786

Nc1onc(-c2ccc(F)c(C(F)(F)F)c2)c1-c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.63
MLYCD O95822 5/20 0.57
MPL P40238 3/20 0.47
MAPK9 P45984 2/20 0.45
MAPK10 P53779 2/20 0.45
MAPK11 Q15759 1/20 0.45
TDO2 P48775 3/20 0.44
S1PR1 P21453 2/20 0.41
CSNK1D P48730 1/20 0.40
S1PR3 Q99500 1/20 0.39
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 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
SCHEMBL4342443 0.85 MAPK14 (0.71) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4334530 0.82 MAPK14 (0.66) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4337126 0.82 MAPK14 (0.66) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4329365 0.82 MAPK14 (0.66) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL27765848 0.80 MAPK14 (0.63) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4340388 0.79 MAPK14 (0.66) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4329246 0.79 MAPK14 (0.66) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4335625 0.79 MAPK14 (0.61) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4335181 0.79 MLYCD (0.56) MAPK14MLYCDMPLMAPK9MAPK10
SCHEMBL4334590 0.78 MAPK14 (0.68) MAPK14MLYCDMAPK9MAPK10MAPK11

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
US-8207203-B2 Pyridylisoxazole derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090306145-A1 Pyridylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2036905-A1 PYRIDYLISOXAZOLE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-03-18 EP 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-20090306145-A1 Pyridylisoxazole Derivatives CNKSR1, MAPK1, MAPK3 MAPK14 43/4885MLYCD 4475/4885MPL 2313/4885

“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.