SCHEMBL3569059

SCHEMBL3569059

FC(F)(F)c1cccc(CCNCc2ccc(C3CC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ROCK1 Q13464 1/20 0.52
PARP1 P09874 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TAAR1 Q96RJ0 1/20 0.46
DPP7 Q9UHL4 1/20 0.45
SCN8A Q9UQD0 1/20 0.44
NR3C1 P04150 1/20 0.43
CNR1 P21554 1/20 0.43
HTR2C P28335 2/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
IDO1 P14902 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL3577225 0.95 PARP1 (0.53) KDM4ETDP1ROCK1PARP1MEN1
SCHEMBL3573470 0.95 PARP1 (0.55) KDM4ETDP1ROCK1PARP1MEN1
SCHEMBL5177616 0.84 KDM4E (0.44) KDM4ETDP1ROCK1PARP1MEN1
SCHEMBL5176919 0.84 LMNA (0.46) KDM4ETDP1ROCK1PARP1MEN1
SCHEMBL5175727 0.84 KDM4E (0.54) KDM4ETDP1ROCK1PARP1MEN1
Hydrochloric Acid SCHEMBL11847984 0.82 MEN1 (0.62) KDM4ETDP1ROCK1PARP1MEN1
SCHEMBL5176588 0.81 CNR1 (0.46) KDM4EMEN1KMT2ASCN8ACNR1
SCHEMBL9958168 0.81 KDM4E (0.59) KDM4ETDP1ROCK1PARP1MEN1
SCHEMBL9957537 0.81 KDM4E (0.59) KDM4ETDP1ROCK1PARP1MEN1
SCHEMBL3571478 0.80 KDM4E (0.55) KDM4ETDP1ROCK1PARP1MEN1

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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (2 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP KDM4E 2662/4885TDP1 185/4885ROCK1 445/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC KDM4E 1828/4885TDP1 3535/4885ROCK1 4631/4885

“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.