SCHEMBL2808980

SCHEMBL2808980

N#Cc1c(NC(=O)OC2Cc3ccccc3C2)ncc2c1-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.34
SLC6A4 P31645 18/20 0.34
SLC6A3 Q01959 18/20 0.34
CYP2D6 P10635 7/20 0.34
KCNH2 Q12809 5/20 0.34
CYP2C19 P33261 5/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL2806661 0.90 CHRM3 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL17043983 0.87 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2802815 0.87 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2805897 0.87 FFAR1 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL16351170 0.86 MEN1 (0.37) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2804693 0.86 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2805043 0.85 CHRM3 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2805434 0.85 TDO2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL2802828 0.84 ALDH1A1 (0.34) SLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL2803902 0.84 CYP2C19 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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.