SCHEMBL15534870

SCHEMBL15534870

[O-][n+]1ccc(C(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
PDE4A P27815 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
BRCA1 P38398 1/20 0.30
CASP7 P55210 1/20 0.30
HBB P68871 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3509829 0.72 TYR (0.37) POLBMEN1GAAMAPTCASP1
SCHEMBL662302 0.71 PGK1 (0.38)
SCHEMBL16397956 0.70 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1
SCHEMBL2332063 0.69 PDE4A (0.35) POLBPDE4A
SCHEMBL6173138 0.69 PDE4A (0.43) POLBPDE4AMEN1GAAMAPT
SCHEMBL11257452 0.69 POLB (0.34) POLBMEN1GAAMAPTCASP1
Bromide SCHEMBL9813321 0.68 NOTUM (0.37)
SCHEMBL3737580 0.67
SCHEMBL5515494 0.67 ADRA2A (0.39) POLBPDE4AMEN1GAAMAPT
SCHEMBL12199540 0.65 PDE4A (0.33) PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852584-B1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
CN-104271566-B Substituted bipyridyl amine and application thereof 霍夫曼-拉罗奇有限公司 2017-05-31 CN disclosed
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 US disclosed
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 US disclosed
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 US disclosed
EP-2852584-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2015-04-01 EP disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 US disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 US disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 US disclosed
CN-104271566-A Substituted dipyridylamines and uses thereof HOFFMANN LA ROCHE 2015-01-07 CN disclosed
WO-2013174780-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 WO disclosed
WO-2013174780-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 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-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF PDXK, PRMT1, DMPK POLB 2940/4885PDE4A 1184/4885MEN1 1960/4885

“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.