SCHEMBL4332028

SCHEMBL4332028

Nc1onc(-c2cccc(C(F)(F)F)c2F)c1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.54
MLYCD O95822 5/20 0.50
MPL P40238 4/20 0.46
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK11 Q15759 1/20 0.39
BRD4 O60885 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS1 P23219 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1881431 0.84 MAPK14 (0.56) MAPK14MLYCDMPLMAPK9MAPK10
SCHEMBL4334747 0.84 MAPK14 (0.59) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4334611 0.82 MAPK14 (0.57) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4335175 0.78 MAPK14 (0.61) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4339786 0.76 MAPK14 (0.63) MAPK14MLYCDMPLMAPK9MAPK10
SCHEMBL4527687 0.76 MAPK14 (0.66) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4335181 0.75 MLYCD (0.56) MAPK14MLYCDMPLMAPK9MAPK10
SCHEMBL4341519 0.75 MLYCD (0.56) MAPK14MLYCDMPLMAPK9MAPK10
SCHEMBL4327769 0.74 BRD4 (0.60) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4334926 0.74 MAPK14 (0.52) 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.