SCHEMBL2803831

SCHEMBL2803831

Cc1ccc(COC(=O)Nc2ncc3c(c2C#N)-c2ccccc2C(c2ccc(Cl)c(Cl)c2)C3)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 2/20 0.33
SCD O00767 1/20 0.32
SLC6A3 Q01959 5/20 0.32
TRPV1 Q8NER1 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
RIPK2 O43353 1/20 0.32
RIPK1 Q13546 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C19 P33261 3/20 0.32

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 0.94 ALDH1A1 (0.34) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL16351170 0.94 MEN1 (0.37) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL2808250 0.93 MEN1 (0.39) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL2801866 0.92 SMN1; SMN2 (0.35) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL13273730 0.91 MEN1 (0.34) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL2808228 0.91 GPBAR1 (0.34) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL2805434 0.90 TDO2 (0.33) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL2808570 0.90 FPR2 (0.33) LMNAMEN1MAPTHTTKMT2A
SCHEMBL2804693 0.88 ALDH1A1 (0.36) LMNAALDH1A1SLC6A3SLC6A2SLC6A4
SCHEMBL2806246 0.87 CYP1A2 (0.39) SMN1; SMN2GPBAR1CYP2C19CYP3A4

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 LMNA 1658/4885MEN1 2137/4885ALDH1A1 510/4885

“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.