SCHEMBL4334590

SCHEMBL4334590

Nc1onc(-c2cc(F)c(F)c(F)c2)c1-c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.68
MLYCD O95822 5/20 0.54
MAPK11 Q15759 3/20 0.48
MAPK9 P45984 2/20 0.48
MAPK10 P53779 2/20 0.48
CSNK1D P48730 1/20 0.43
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
BRD4 O60885 1/20 0.35
TDO2 P48775 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL4342443 0.87 MAPK14 (0.71) MAPK14MLYCDMAPK11MAPK9MAPK10
SCHEMBL4329246 0.83 MAPK14 (0.66) MAPK14MLYCDMAPK11MAPK9MAPK10
SCHEMBL4340388 0.83 MAPK14 (0.66) MAPK14MLYCDMAPK11MAPK9MAPK10
SCHEMBL1878111 0.83 MAPK14 (0.71) MAPK14MLYCDMAPK11MAPK9MAPK10
SCHEMBL4341435 0.82 MAPK14 (0.68) MAPK14MLYCDMAPK11MAPK9MAPK10
SCHEMBL6102776 0.81 MAPK14 (1.00) MAPK14MLYCDMAPK11MAPK9MAPK10
SCHEMBL6090980 0.81 MAPK14 (1.00) MAPK14MLYCDMAPK11MAPK9MAPK10
SCHEMBL4336972 0.81 MAPK14 (0.63) MAPK14MLYCDMAPK11MAPK9MAPK10
SCHEMBL27765856 0.81 MAPK14 (0.63) MAPK14MLYCDMAPK11MAPK9MAPK10
SCHEMBL4332772 0.81 MAPK14 (0.62) MAPK14MLYCDMAPK11MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036905-B1 PYRIDYLISOXAZOLE DERIVATIVE ASKA PHARM CO LTD (JP) 2012-12-12 EP disclosed
CN-101472921-B Pyridylisoxazole derivative ASKA PHARM CO LTD 2012-10-10 CN disclosed
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
CN-101472921-A Pyridylisoxazole derivative ASKA PHARM CO LTD (JP) 2009-07-01 CN 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 4475/4885MAPK11 53/4885

“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.