SCHEMBL13698115

SCHEMBL13698115

CNS(=O)(=O)c1ccc2c(c1)C(C(C)(C)C)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 4/20 0.38
NR3C2 P08235 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PNMT P11086 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36

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
SCHEMBL13698110 0.83 CA1 (0.45) MAPTALDH1A1SMN1; SMN2CA12CA1
SCHEMBL13698113 0.82 ALDH1A1 (0.48) MAPTALDH1A1LMNATP53THRB
SCHEMBL13698114 0.81 TSHR (0.38) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL13215786 0.78 PGR (0.49) MAPTALDH1A1KDM4EHPGDTAS2R14
SCHEMBL13698109 0.75 PDPK1 (0.39) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL23869671 0.73 HTR7 (0.39) TP53POLBCA12CA1CA2
SCHEMBL27582058 0.73 MAPT (0.41) MAPTALDH1A1KDM4EHPGDTAS2R14
SCHEMBL14030433 0.69 IDO1 (0.46) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL5894519 0.67 CA12 (0.63) ALDH1A1TAS2R14CA12CA1CA2
SCHEMBL13215770 0.67 ALDH1A1 (0.47) MAPTALDH1A1KDM4EHPGDTAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 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-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 MAPT 3283/4885ALDH1A1 4117/4885KDM4E 2002/4885

“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.