SCHEMBL4333467

SCHEMBL4333467

Nc1onc(-c2ccc(-c3ccccc3)cc2)c1-c1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.72
MLYCD O95822 3/20 0.60
PTGS1 P23219 4/20 0.52
BRD4 O60885 1/20 0.51
TDO2 P48775 1/20 0.51
MAPK9 P45984 2/20 0.50
MAPK10 P53779 2/20 0.50
MAPK11 Q15759 1/20 0.50
PTGS2 P35354 4/20 0.49
NOTUM Q6P988 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CSNK1D P48730 1/20 0.44
CA12 O43570 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
SCHEMBL6102776 0.84 MAPK14 (1.00) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4341533 0.84 MAPK14 (0.72) MAPK14MLYCDPTGS1BRD4TDO2
SCHEMBL6090980 0.84 MAPK14 (1.00) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL1878819 0.82 MAPK14 (0.75) MAPK14MLYCDPTGS1BRD4TDO2
SCHEMBL4346731 0.82 MAPK14 (0.61) MAPK14MLYCDPTGS1MAPK9MAPK10
SCHEMBL27765845 0.81 MAPK14 (0.68) MAPK14MLYCDPTGS1MAPK9MAPK10
SCHEMBL4337249 0.80 MAPK14 (0.67) MAPK14MLYCDPTGS1PTGS2NPC1
SCHEMBL4335110 0.80 MAPK14 (0.67) MAPK14MLYCDPTGS1BRD4TDO2
SCHEMBL4338473 0.79 MAPK14 (0.57) MAPK14MLYCDPTGS1BRD4TDO2
SCHEMBL1878049 0.78 MAPK14 (0.74) MAPK14MLYCDPTGS1BRD4TDO2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472921-B Pyridylisoxazole derivative ASKA PHARM CO LTD 2012-10-10 CN disclosed
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
CN-101472921-A Pyridylisoxazole derivative ASKA PHARM CO LTD (JP) 2009-07-01 CN 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 4475/4885PTGS1 139/4885

“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.