SCHEMBL998246

SCHEMBL998246

COc1ccc2[nH]c3c(c2c1)CCN(C(C)=O)C3C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.59
MAPT P10636 5/20 0.56
TP53 P04637 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
SIRT1 Q96EB6 2/20 0.53
MAPKAPK5 Q8IW41 1/20 0.53
BAZ2B Q9UIF8 1/20 0.53
POLB P06746 2/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
KDR P35968 1/20 0.51
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL998642 0.94 SIRT1 (0.56) MAPKAPK2MAPTTP53SMN1; SMN2SIRT1
SCHEMBL997812 0.86 MAPT (0.75) MAPKAPK2MAPTTP53SMN1; SMN2SIRT1
SCHEMBL2707877 0.85 MAPKAPK2 (0.62) MAPKAPK2MAPTTP53SMN1; SMN2SIRT1
SCHEMBL998332 0.84 MAPT (0.74) MAPKAPK2MAPTTP53SMN1; SMN2SIRT1
SCHEMBL1001238 0.83 MAPT (0.68) MAPKAPK2MAPTTP53SMN1; SMN2MAPKAPK5
SCHEMBL997581 0.83 MAPT (0.65) MAPKAPK2MAPTTP53SMN1; SMN2POLB
SCHEMBL998267 0.83 MAPT (0.63) MAPKAPK2MAPTTP53SMN1; SMN2SIRT1
SCHEMBL998459 0.83 MAPT (0.56) MAPKAPK2MAPTTP53SMN1; SMN2SIRT1
SCHEMBL1000770 0.83 MAPT (0.62) MAPKAPK2MAPTTP53SMN1; SMN2SIRT1
SCHEMBL997405 0.83 MAPT (0.62) MAPKAPK2MAPTTP53SMN1; SMN2POLB

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
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS MAPKAPK2 3112/4885MAPT 4705/4885TP53 945/4885

“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.