SCHEMBL2806805

SCHEMBL2806805

CC(CO)CCNc1ncc2c(n1)-c1ccccc1C1(CCNCC1)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
KPNA2 P52292 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 4/20 0.31
GLA P06280 2/20 0.31
HSD17B10 Q99714 3/20 0.31
FLT3 P36888 2/20 0.31
TYRO3 Q06418 2/20 0.31
MERTK Q12866 2/20 0.31
GAS6 Q14393 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDR P35968 5/20 0.31
PLK1 P53350 1/20 0.31
GAA P10253 2/20 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
SCHEMBL2804670 0.85 KDM4E (0.40) KDM4EALDH1A1MAPTMEN1HTT
SCHEMBL2804238 0.81 TRIM58 (0.36) KMT2APOLBFLT3TYRO3MERTK
SCHEMBL2803960 0.81 KDR (0.37) KDM4EALDH1A1MAPTHPGDMERTK
SCHEMBL2806117 0.80 NPC1 (0.41) KDM4EALDH1A1MAPTMEN1HTT
SCHEMBL2804443 0.80 MERTK (0.35) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2806912 0.80 HTR7 (0.36) ALDH1A1KDRPLK1
SCHEMBL2804032 0.80 HPGD (0.40) HPGDFLT3TYRO3MERTKGAS6
SCHEMBL13273524 0.80 FGFR1 (0.40) MAPTFLT3TYRO3MERTKGAS6
SCHEMBL13273733 0.79 MAPK1 (0.34) KDM4EALDH1A1MAPTMEN1HTT
SCHEMBL2804601 0.79 CCNA2 (0.39) KDM4EALDH1A1MAPTHTTHPGD

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 KDM4E 679/4885ALDH1A1 510/4885MAPT 1884/4885

“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.