SCHEMBL4335181

SCHEMBL4335181

Nc1onc(-c2cc(C(F)(F)F)ccc2F)c1-c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 6/20 0.56
MAPK14 Q16539 3/20 0.54
MPL P40238 2/20 0.44
BRD4 O60885 1/20 0.42
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
KIF11 P52732 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK11 Q15759 1/20 0.39
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 2/20 0.39

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
SCHEMBL4341519 0.90 MLYCD (0.56) MLYCDMAPK14MPLBRD4SRC
SCHEMBL1882287 0.84 MAPK14 (0.56) MLYCDMAPK14MPLBRD4KDR
SCHEMBL4335463 0.82 MAPK14 (0.57) MLYCDMAPK14BRD4SRCBRAF
SCHEMBL4332772 0.81 MAPK14 (0.62) MLYCDMAPK14BRD4NPC1RAB9A
SCHEMBL27765849 0.80 MAPK14 (0.54) MLYCDMAPK14NPC1RAB9AMAPK9
SCHEMBL4327769 0.80 BRD4 (0.60) MLYCDMAPK14BRD4KIF11NPC1
SCHEMBL4339786 0.79 MAPK14 (0.63) MLYCDMAPK14MPLMAPK9MAPK10
SCHEMBL4335175 0.78 MAPK14 (0.61) MLYCDMAPK14BRD4NPC1RAB9A
SCHEMBL4341435 0.77 MAPK14 (0.68) MLYCDMAPK14SRCBRAFKDR
SCHEMBL4339480 0.77 MAPK14 (0.57) MLYCDMAPK14SRCBRAFKDR

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 MLYCD 4475/4885MAPK14 43/4885MPL 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.