SCHEMBL2808228

SCHEMBL2808228

N#Cc1c(NC(=O)OCc2ccc3ccccc3c2)ncc2c1-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 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
REN P00797 1/20 0.32
S1PR1 P21453 1/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
S1PR5 Q9H228 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 0.31

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 0.92 ALDH1A1 (0.34) GPBAR1PTGDR2MEN1ALDH1A1LMNA
SCHEMBL16351170 0.92 MEN1 (0.37) MEN1ALDH1A1LMNAMAPTHTT
SCHEMBL2805434 0.91 TDO2 (0.33) PTGDR2MEN1ALDH1A1LMNAMAPT
SCHEMBL2803831 0.91 LMNA (0.33) GPBAR1PTGDR2MEN1ALDH1A1LMNA
SCHEMBL2808250 0.89 MEN1 (0.39) GPBAR1CTSLCTSBCTSSPTGDR2
SCHEMBL2801866 0.89 SMN1; SMN2 (0.35) PTGDR2MEN1ALDH1A1LMNAMAPT
SCHEMBL13273730 0.89 MEN1 (0.34) GPBAR1CTSLMEN1ALDH1A1LMNA
SCHEMBL2808570 0.86 FPR2 (0.33) GPBAR1MEN1LMNAMAPTHTT
SCHEMBL2804693 0.86 ALDH1A1 (0.36) ALDH1A1LMNAKCNH2SLC6A2SLC6A4
SCHEMBL2805043 0.85 CHRM3 (0.37) KCNH2SLC6A2SLC6A4SLC6A3

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 GPBAR1 824/4885CTSL 4134/4885CTSB 3360/4885

“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.