SCHEMBL4334588

SCHEMBL4334588

O=C(CCc1ccccc1)Nc1onc(-c2cc(C(F)(F)F)ccc2F)c1-c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.67
MLYCD O95822 2/20 0.45
LMNA P02545 1/20 0.43
RORC P51449 1/20 0.42
MAPT P10636 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4485446 0.91 MAPK14 (0.66) MAPK14MLYCDMAPTMEN1KMT2A
SCHEMBL4332716 0.88 MAPK14 (0.69) MAPK14MLYCDLMNAKMT2A
SCHEMBL4334957 0.87 MAPK14 (0.74) MAPK14MLYCDLMNATSHR
SCHEMBL27744896 0.87 MAPK14 (0.68) MAPK14MLYCDLMNA
SCHEMBL4343808 0.85 MAPK14 (0.73) MAPK14MLYCDLMNAMAPTTRPV1
SCHEMBL4329197 0.84 MAPK14 (0.78) MAPK14LMNATSHR
SCHEMBL4339734 0.84 MAPK14 (0.66) MAPK14MLYCDMAPTMEN1KMT2A
SCHEMBL4342449 0.84 MAPK14 (0.69) MAPK14LMNARORCTSHRL3MBTL1
SCHEMBL4337176 0.84 MAPK14 (0.77) MAPK14LMNARORCCYP11B1CYP11B2
SCHEMBL4347007 0.83 MAPK14 (0.59) MAPK14MLYCD

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 4475/4885LMNA 4792/4885

“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.