SCHEMBL4332612

SCHEMBL4332612

O=C(Cc1ccccc1Cl)Nc1onc(-c2cccc(C(F)(F)F)c2)c1-c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.62
KCNJ5 P48544 3/20 0.50
KCNJ3 P48549 3/20 0.50
RORA P35398 1/20 0.49
NR2E1 Q9Y466 1/20 0.49
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK11 Q15759 1/20 0.46
CSNK1D P48730 1/20 0.46
MLYCD O95822 1/20 0.45
TP53 P04637 1/20 0.43
KCNJ6 P48051 1/20 0.43

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
SCHEMBL4342164 0.89 MAPK14 (0.61) MAPK14KCNJ5KCNJ3RORANR2E1
SCHEMBL4332767 0.88 MAPK14 (0.69) MAPK14MLYCD
SCHEMBL4342912 0.87 MAPK14 (0.60) MAPK14KCNJ5KCNJ3MAPK9MAPK10
SCHEMBL4338223 0.87 MAPK14 (0.66) MAPK14KCNJ5KCNJ3RORANR2E1
SCHEMBL4347007 0.87 MAPK14 (0.59) MAPK14KCNJ5KCNJ3RORANR2E1
SCHEMBL4465470 0.86 MAPK14 (0.64) MAPK14KCNJ5KCNJ3MAPK9MAPK10
SCHEMBL4342459 0.86 MAPK14 (0.82) MAPK14KCNJ5KCNJ3RORANR2E1
SCHEMBL4336203 0.86 MAPK14 (0.61) MAPK14KCNJ5KCNJ3RORANR2E1
SCHEMBL4330131 0.85 MAPK14 (0.66) MAPK14KCNJ5KCNJ3MAPK9MAPK10
SCHEMBL4337515 0.85 MAPK14 (0.64) MAPK14KCNJ5KCNJ3MAPK9MAPK10

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 43/4885KCNJ5 906/4885KCNJ3 630/4885

“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.