SCHEMBL4339734

SCHEMBL4339734

O=C(Cc1ccccc1)Nc1onc(-c2ccc(C(F)(F)F)cc2F)c1-c1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.66
MLYCD O95822 1/20 0.43
CSNK1D P48730 1/20 0.42
ROCK2 O75116 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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 0.93 MAPK14 (0.66) MAPK14MLYCDCSNK1DMEN1MAPT
SCHEMBL4333020 0.89 MAPK14 (0.76) MAPK14
SCHEMBL4338223 0.89 MAPK14 (0.66) MAPK14MLYCDCSNK1DROCK2
SCHEMBL4332019 0.87 MAPK14 (0.68) MAPK14
SCHEMBL4340368 0.87 MAPK14 (0.73) MAPK14
SCHEMBL4332767 0.86 MAPK14 (0.69) MAPK14MLYCDMEN1MAPTKMT2A
SCHEMBL4338156 0.85 MAPK14 (0.65) MAPK14
SCHEMBL4334588 0.84 MAPK14 (0.67) MAPK14MLYCDMEN1MAPTKMT2A
SCHEMBL4335383 0.84 MAPK14 (0.71) MAPK14
SCHEMBL4336219 0.84 MAPK14 (0.77) MAPK14

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 4475/4885CSNK1D 285/4885

“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.