SCHEMBL4335362

SCHEMBL4335362

CC(C(=O)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncc1)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.51
MLYCD O95822 1/20 0.43
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
HSP90AA1 P07900 1/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK11 Q15759 1/20 0.39
FAAH O00519 1/20 0.39
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38

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
SCHEMBL4335405 0.90 MAPK14 (0.48) MAPK14MLYCDAKR1C3AKR1C2LMNA
SCHEMBL4337180 0.90 MAPK14 (0.52) MAPK14MLYCDAKR1C3AKR1C2LMNA
SCHEMBL4342451 0.89 MAPK14 (0.47) MAPK14MLYCDAKR1C3AKR1C2HSP90AA1
SCHEMBL4331788 0.88 MLYCD (0.43) MAPK14MLYCDAKR1C3AKR1C2HSP90AA1
SCHEMBL4337504 0.86 MAPK14 (0.58) MAPK14MLYCDHSP90AA1MAPK9MAPK10
SCHEMBL4335643 0.85 MAPK14 (0.50) MAPK14MLYCDHSP90AA1LMNASMN1; SMN2
SCHEMBL4341500 0.84 MLYCD (0.42) MAPK14MLYCDHSP90AA1LMNASMN1; SMN2
SCHEMBL4348725 0.82 MAPK14 (0.50) MAPK14MLYCDHSP90AA1LMNASMN1; SMN2
SCHEMBL4341274 0.82 MAPK14 (0.52) MAPK14MLYCDHSP90AA1KMT2AROCK1
SCHEMBL4337080 0.81 MLYCD (0.45) MAPK14MLYCDAKR1C3AKR1C2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036905-B1 PYRIDYLISOXAZOLE DERIVATIVE ASKA PHARM CO LTD (JP) 2012-12-12 EP 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
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 4475/4885AKR1C3 865/4885

“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.