SCHEMBL2808549

SCHEMBL2808549

CNc1ncc2c(n1)-c1ccccc1C1(CCN(Cc3ccc(F)c(Cl)c3)CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.44
PLK1 P53350 1/20 0.38
SIGMAR1 Q99720 5/20 0.38
TP53 P04637 1/20 0.37
KCNH2 Q12809 3/20 0.37
MCHR1 Q99705 2/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
IGF1R P08069 1/20 0.36
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL2804117 0.92 SIGMAR1 (0.41) PLK1SIGMAR1TP53KCNH2DRD2
SCHEMBL2802601 0.90 SIGMAR1 (0.47) AXLPLK1SIGMAR1TP53
SCHEMBL2803730 0.89 SIGMAR1 (0.45) SIGMAR1TP53DRD2HTR2AHTR2C
SCHEMBL2801907 0.89 PLK1 (0.44) AXLPLK1SIGMAR1TP53AURKA
SCHEMBL2805415 0.87 SIGMAR1 (0.46) SIGMAR1TP53MAPK1DRD2HTR2A
SCHEMBL2803119 0.87 MEN1 (0.39) PLK1AURKA
SCHEMBL2804912 0.87 CHKA (0.41) SIGMAR1MCHR1HTR2AHTR2CHTR2B
SCHEMBL2805196 0.86 SIGMAR1 (0.50) SIGMAR1TP53MAPK1DRD2HTR2A
SCHEMBL2803944 0.85 SIGMAR1 (0.41) SIGMAR1TP53DRD2HTR2AHTR2C
SCHEMBL2803126 0.84 SIGMAR1 (0.53) PLK1SIGMAR1DRD2HTR2AHTR2C

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 7 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-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 AXL 3180/4885PLK1 83/4885SIGMAR1 2817/4885

“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.