SCHEMBL2804693

SCHEMBL2804693

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
SLC6A2 P23975 15/20 0.34
SLC6A4 P31645 15/20 0.34
SLC6A3 Q01959 15/20 0.34
CYP2D6 P10635 6/20 0.33
CYP2C19 P33261 4/20 0.33
KCNH2 Q12809 4/20 0.33
CYP3A4 P08684 1/20 0.33

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 0.95 CYP2C19 (0.34) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL2802823 0.90 SLC6A4 (0.35) LMNASLC6A2SLC6A4SLC6A3
SCHEMBL2805222 0.90 CHEK1 (0.32) LMNASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2803313 0.90 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL16351170 0.89 MEN1 (0.37) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL2802547 0.89 RAB9A (0.35) ALDH1A1LMNARECQLSLC6A2SLC6A4
SCHEMBL2803262 0.88 CHEK1 (0.36) LMNARECQLCYP2C19CYP3A4
SCHEMBL2805043 0.88 CHRM3 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL2805897 0.88 FFAR1 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL2803852 0.88 HRH3 (0.45) ALDH1A1SLC6A4

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 ALDH1A1 510/4885LMNA 1658/4885RECQL 79/4885

“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.