SCHEMBL2802823

SCHEMBL2802823

CN(C)CCCOC(=O)Nc1ncc2c(c1C#N)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.35
SLC6A2 P23975 10/20 0.35
SLC6A3 Q01959 10/20 0.35
HRH3 Q9Y5N1 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
CHEK1 O14757 2/20 0.32
UTS2R Q9UKP6 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP7 Q93009 1/20 0.32
USP47 Q96K76 1/20 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
SCHEMBL2803902 0.92 CYP2C19 (0.34) SLC6A4SLC6A2SLC6A3HRH3LMNA
SCHEMBL2804693 0.90 ALDH1A1 (0.36) SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL2803852 0.88 HRH3 (0.45) SLC6A4HRH3
SCHEMBL2805222 0.87 CHEK1 (0.32) SLC6A4SLC6A2SLC6A3HRH3CHEK1
SCHEMBL2808313 0.86 MET (0.38) SLC6A4HRH3
SCHEMBL2803313 0.86 SLC6A2 (0.31) SLC6A4SLC6A2SLC6A3
SCHEMBL2802547 0.85 RAB9A (0.35) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL2803262 0.85 CHEK1 (0.36) CHEK1LMNA
SCHEMBL2805043 0.85 CHRM3 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL2808570 0.85 FPR2 (0.33) SLC6A4SLC6A2SLC6A3LMNAMAPT

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 SLC6A4 564/4885SLC6A2 233/4885SLC6A3 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.