SCHEMBL3247076

SCHEMBL3247076

CC(C)NCCN(C(=O)OC(C)(C)C)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.34
EPHX1 P07099 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
DPP4 P27487 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CCR5 P51681 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
REN P00797 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL21816632 0.83 CA14 (0.36) CA14EPHX1DPP4CCR5CA12
SCHEMBL14095477 0.82 TSHR (0.45) CA14EPHX1DPP4CA12
SCHEMBL21816596 0.81 CA14 (0.35) CA14EPHX1KMT2ADPP4CCR5
SCHEMBL6498594 0.78 CA14 (0.34) CA14DPP4CCR5CA12CA1
SCHEMBL15285331 0.78 CA14 (0.36) CA14DPP4CCR5REN
SCHEMBL13055387 0.77 EPHX1 (0.53) CA14EPHX1KMT2AMEN1CA12
SCHEMBL6497822 0.77 BTK (0.38) CA14EPHX1CA12CA1
SCHEMBL8211164 0.76 CA14 (0.38) CA14KMT2AMEN1CA12CA1
SCHEMBL14690784 0.76 DPP4 (0.36) CA14DPP4CCR5REN
SCHEMBL20156668 0.76 CA14 (0.38) CA14KMT2AMEN1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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 (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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 CA14 4824/4885EPHX1 2061/4885KMT2A 1882/4885

“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.