SCHEMBL2803313

SCHEMBL2803313

Cc1ccccc1CCOC(=O)Nc1ncc2c(c1C#N)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.31
SLC6A4 P31645 12/20 0.31
SLC6A3 Q01959 12/20 0.31
CYP2D6 P10635 7/20 0.31
CYP2C19 P33261 5/20 0.31
KCNH2 Q12809 5/20 0.31
CYP3A4 P08684 2/20 0.31
CHRM3 P20309 2/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 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
SCHEMBL2805222 0.94 CHEK1 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL2808570 0.93 FPR2 (0.33) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL2803262 0.92 CHEK1 (0.36) CYP2C19CYP3A4CHRM3MAPK8MAPK9
SCHEMBL2804693 0.90 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL2803902 0.88 CYP2C19 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL2802547 0.88 RAB9A (0.35) SLC6A2SLC6A4SLC6A3CYP2C19CYP3A4
SCHEMBL2804448 0.87 GOT1 (0.38)
SCHEMBL2805160 0.87 ALDH1A1 (0.34) KCNH2CHRM3
SCHEMBL2802823 0.86 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL2806246 0.86 CYP1A2 (0.39) CYP2C19CYP3A4MAPK8MAPK9

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 SLC6A2 233/4885SLC6A4 564/4885SLC6A3 707/4885

“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.