SCHEMBL13670475

SCHEMBL13670475

OCCc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.71
MAP4K4 O95819 2/20 0.47
CSNK1D P48730 2/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
AURKB Q96GD4 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
MAPK10 P53779 1/20 0.46
MAPK11 Q15759 7/20 0.46
MAPK13 O15264 6/20 0.46
MAPK12 P53778 6/20 0.46
GCGR P47871 1/20 0.46

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
SCHEMBL5903491 0.94 MAPK14 (0.68) MAPK14MAP4K4CSNK1DMAPK9CSNK1A1
SCHEMBL7162537 0.93 MAPK14 (0.67) MAPK14MAP4K4CSNK1DMAPK9CSNK1A1
SCHEMBL4347807 0.87 MAPK14 (0.68) MAPK14MAP4K4CSNK1DMAPK9CSNK1A1
SCHEMBL27489999 0.85 MAPK14 (0.58) MAPK14MAPK10MAPK11MAPK13MAPK12
SCHEMBL6587012 0.84 MAPK14 (0.66) MAPK14MAPK10MAPK11MAPK13MAPK12
SCHEMBL5858720 0.84 MAPK14 (0.66) MAPK14MAPK10MAPK11MAPK13MAPK12
SCHEMBL7139249 0.84 MAPK14 (0.66) MAPK14MAP4K4CSNK1DMAPK9CSNK1A1
SCHEMBL6581107 0.84 MAPK14 (0.66) MAPK14MAPK10MAPK11MAPK13MAPK12
SCHEMBL1127766 0.84 MAPK14 (0.66) MAPK14MAPK10MAPK11MAPK13MAPK12
SCHEMBL1127850 0.83 MAPK14 (0.62) MAPK14MAP4K4MAPK10MAPK11MAPK13

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
US-20120289511-A1 COMPOSITIONS AND METHODS FOR TREATING ALZHEIMER'S DISEASE EIP PHARMA, LLC (US) 2012-11-15 US disclosed
WO-2009132068-A2 TREATMENT OF PLURIPOTENT CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2009-10-29 WO disclosed
WO-2009017795-A1 INDAZOLE COMPOUNDS FOR TREATING INFLAMMATORY DISORDERS, DEMYELINATING DISORDERS AND CANCERS XANTHUS PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
US-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers XANTHUS PHARMACEUTICALS, INC. 2008-05-08 US 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 (2 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-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers PMP22, PML, AQP4 MAPK14 1192/4885MAP4K4 1754/4885CSNK1D 2871/4885
US-20120289511-A1 COMPOSITIONS AND METHODS FOR TREATING ALZHEIMER'S DISEASE APP, PSEN1, PSEN2 MAPK14 4676/4885MAP4K4 4048/4885CSNK1D 2851/4885

“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.