SCHEMBL2805434

SCHEMBL2805434

N#Cc1c(NC(=O)OCc2ccc(F)c(F)c2)ncc2c1-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.33
CNR1 P21554 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 2/20 0.32
S1PR5 Q9H228 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ENPP2 Q13822 2/20 0.31
SCD O00767 1/20 0.31
CHEK1 O14757 1/20 0.31
SLC6A2 P23975 4/20 0.30
SLC6A4 P31645 4/20 0.30
SLC6A3 Q01959 4/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 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
SCHEMBL2802828 0.93 ALDH1A1 (0.34) PTGDR2MEN1ALDH1A1LMNAMAPT
SCHEMBL16351170 0.91 MEN1 (0.37) MEN1ALDH1A1LMNAMAPTHTT
SCHEMBL2808228 0.91 GPBAR1 (0.34) PTGDR2MEN1ALDH1A1LMNAMAPT
SCHEMBL2803831 0.90 LMNA (0.33) PTGDR2MEN1ALDH1A1LMNAMAPT
SCHEMBL13273730 0.89 MEN1 (0.34) MEN1ALDH1A1LMNAMAPTHTT
SCHEMBL2808250 0.89 MEN1 (0.39) PTGDR2MEN1ALDH1A1LMNAMAPT
SCHEMBL2801866 0.88 SMN1; SMN2 (0.35) PTGDR2MEN1ALDH1A1LMNAMAPT
SCHEMBL2808570 0.85 FPR2 (0.33) MEN1LMNAMAPTHTTKMT2A
SCHEMBL2804693 0.85 ALDH1A1 (0.36) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL2804317 0.85 GPBAR1 (0.34) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TDO2 978/4885CNR1 1384/4885PTGDR2 1019/4885

“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.