SCHEMBL4332040

SCHEMBL4332040

Cc1ccccc1-c1noc(N)c1-c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.55
LMNA P02545 1/20 0.54
BRD4 O60885 1/20 0.47
TDO2 P48775 1/20 0.47
MLYCD O95822 2/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PTGS1 P23219 3/20 0.43
PTGS2 P35354 2/20 0.41
ACE2 Q9BYF1 1/20 0.41
CYP17A1 P05093 2/20 0.41
CYP1A2 P05177 2/20 0.41
HSP90AA1 P07900 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
AHR P35869 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4334926 0.89 MAPK14 (0.52) MAPK14LMNABRD4TDO2MLYCD
SCHEMBL4334913 0.86 MAPK14 (0.59) MAPK14LMNABRD4TDO2MLYCD
SCHEMBL4336987 0.83 MAPK14 (0.52) MAPK14LMNABRD4TDO2MLYCD
SCHEMBL1877430 0.82 MAPK14 (0.56) MAPK14LMNABRD4TDO2ALDH1A1
SCHEMBL4480878 0.82 MAPK14 (0.55) MAPK14LMNABRD4TDO2MLYCD
SCHEMBL27765828 0.80 MAPK14 (0.52) MAPK14BRD4TDO2MLYCDALDH1A1
SCHEMBL4336223 0.80 ALDH1A1 (0.55) MAPK14LMNABRD4TDO2MLYCD
SCHEMBL4334747 0.77 MAPK14 (0.59) MAPK14LMNABRD4TDO2MLYCD
SCHEMBL4333467 0.77 MAPK14 (0.72) MAPK14LMNABRD4TDO2MLYCD
SCHEMBL4341533 0.77 MAPK14 (0.72) MAPK14BRD4TDO2MLYCDALDH1A1

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 43/4885LMNA 4792/4885BRD4 555/4885

“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.