SCHEMBL5904086

SCHEMBL5904086

COc1ccc(-c2cc(C(N)=O)cnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.59
KDM1A O60341 1/20 0.57
HDAC1 Q13547 1/20 0.57
MAP4K4 O95819 2/20 0.56
HPGDS O60760 1/20 0.55
AKT1 P31749 1/20 0.53
PARP10 Q53GL7 2/20 0.51
PARP1 P09874 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
PARP4 Q9UKK3 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
MALT1 Q9UDY8 1/20 0.51
MAPKAPK2 P49137 3/20 0.50
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL4804463 0.87 KDM1A (0.58) CHEK2KDM1AHDAC1MAP4K4CA1
SCHEMBL5904122 0.86 CHEK2 (0.78) CHEK2MAP4K4HPGDSMAPKAPK2MKNK1
SCHEMBL5904261 0.86 CHEK2 (0.59) CHEK2MAP4K4HPGDSPARP10PARP1
SCHEMBL4674159 0.80 AKT1 (0.70) CHEK2MAP4K4HPGDSAKT1PARP1
SCHEMBL28414233 0.80 MALT1 (0.57) KDM1AHDAC1CA1CA2CYP11B1
SCHEMBL25060774 0.79 MALT1 (0.55) CHEK2KDM1AHDAC1MAP4K4PARP10
SCHEMBL22332440 0.78 MALT1 (0.55) CHEK2KDM1AHDAC1MAP4K4PARP10
SCHEMBL20987083 0.76 KDM1A (0.51) CHEK2KDM1AHDAC1MAP4K4CA1
SCHEMBL20987099 0.76 HDAC1 (0.53) CHEK2KDM1AHDAC1MAP4K4CA1
SCHEMBL28419710 0.76 MALT1 (0.53) KDM1AHDAC1MALT1KMT2A

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-20060128757-A1 Pyridine derivatives useful as cyclooxygenase inhibitor ASTELLAS PHARMA INC. (JP) 2006-06-15 US disclosed
EP-1355885-A1 PYRIDINE DERIVATIVES USEFUL AS CYCLOOXYGENASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
US-20030119877-A1 Pyridine derivatives useful as cyclooxygenase inhibitor ASTELLAS PHARMA INC. (JP) 2003-06-26 US disclosed
WO-2002055502-A1 PYRIDINE DERIVATIVES USEFUL AS CYCLOOXYGENASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 WO 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-20030119877-A1 Pyridine derivatives useful as cyclooxygenase inhibitor PTGS1, PTGIS, PTGER1 CHEK2 3171/4885KDM1A 408/4885HDAC1 975/4885
US-20060128757-A1 Pyridine derivatives useful as cyclooxygenase inhibitor PTGS1, PTGIS, PTGS2 CHEK2 2590/4885KDM1A 183/4885HDAC1 783/4885

“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.