SCHEMBL4469809

SCHEMBL4469809

Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1N

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
NPC1 O15118 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
PKM P14618 2/20 0.64
RAB9A P51151 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HPGD P15428 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
NPBWR1 P48145 11/20 0.55
DGAT1 O75907 6/20 0.49
KCNH2 Q12809 6/20 0.49
SOAT1 P35610 3/20 0.45
CYP1A1 P04798 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
SCHEMBL2360802 0.88 NPBWR1 (0.53) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL6325961 0.82 NPBWR1 (0.59) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL30343717 0.82 NPBWR1 (0.59) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL4469806 0.82 PARP1 (0.52) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL21086936 0.82 NPBWR1 (0.61) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL15245140 0.81 DGAT1 (0.67) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL31027889 0.80 HDAC6 (0.64) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL21705325 0.80 HDAC6 (0.64) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL15245227 0.79 HDAC6 (0.62) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL21086965 0.79 NPBWR1 (0.53) KDM4ENPC1ALDH1A1MAPTPKM

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 KDM4E 2272/4885NPC1 3549/4885ALDH1A1 3640/4885

“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.