SCHEMBL4469806

SCHEMBL4469806

Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.52
NPBWR1 P48145 5/20 0.50
CHEK2 O96017 7/20 0.48
DGAT1 O75907 3/20 0.46
KCNH2 Q12809 3/20 0.46
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 1/20 0.42
SOAT1 P35610 1/20 0.42

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
SCHEMBL19994513 0.82 CHEK2 (0.65) PARP1NPBWR1CHEK2DGAT1KCNH2
SCHEMBL4469809 0.82 KDM4E (0.64) NPBWR1DGAT1KCNH2KDM4ENPC1
SCHEMBL15245143 0.81 CHEK2 (0.64) PARP1NPBWR1CHEK2DGAT1KCNH2
SCHEMBL15245155 0.76 DGAT1 (0.56) NPBWR1CHEK2DGAT1KCNH2SOAT1
SCHEMBL6695582 0.76 PARP1 (0.45) PARP1NPBWR1CHEK2DGAT1KCNH2
SCHEMBL15245140 0.76 DGAT1 (0.67) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL5323409 0.75 CES2 (0.50) KDM4EALDH1A1HPGDJAK2
SCHEMBL2360802 0.75 NPBWR1 (0.53) NPBWR1DGAT1KCNH2KDM4ENPC1
SCHEMBL6325961 0.75 NPBWR1 (0.59) NPBWR1DGAT1KCNH2KDM4ENPC1
SCHEMBL31027889 0.75 HDAC6 (0.64) PARP1NPBWR1DGAT1KCNH2SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US claimed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US claimed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP claimed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO claimed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP disclosed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 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 (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-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK PARP1 2503/4885NPBWR1 2778/4885CHEK2 77/4885

“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.