SCHEMBL2803014

SCHEMBL2803014

COc1ccccc1CNC(=O)Nc1ccc(C2Cc3cnc(NCCCN4CCCC4)nc3-c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.48
FGFR1 P11362 6/20 0.42
EGFR P00533 3/20 0.42
FGFR2 P21802 2/20 0.42
FGFR4 P22455 2/20 0.42
FGFR3 P22607 2/20 0.42
DRD2 P14416 7/20 0.41
DRD4 P21917 7/20 0.41
DRD3 P35462 7/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
SELP P16109 2/20 0.41
TYRO3 Q06418 2/20 0.41
MET P08581 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41

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
SCHEMBL2802857 0.91 HTR3A (0.48) HTR3AFGFR1EGFRFGFR2FGFR4
SCHEMBL2803706 0.90 FGFR1 (0.43) HTR3AFGFR1EGFRFGFR2FGFR4
SCHEMBL2802254 0.86 FGFR1 (0.49) HTR3AFGFR1EGFRFGFR2FGFR4
SCHEMBL2806783 0.86 FGFR1 (0.48) HTR3AFGFR1EGFRFGFR2FGFR4
SCHEMBL2513936 0.86 FGFR1 (0.42) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL2807118 0.86 FGFR1 (0.51) HTR3AFGFR1EGFRFGFR2FGFR4
SCHEMBL2806243 0.85 FPR3 (0.39) HTR3AFGFR1EGFRFGFR2FGFR4
SCHEMBL2802637 0.85 FGFR1 (0.55) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL2804937 0.84 FGFR1 (0.48) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL2802727 0.84 CCR3 (0.43) HTR3AFGFR1ADRA2AHTR2AMCHR1

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-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

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 HTR3A 1305/4885FGFR1 530/4885EGFR 1297/4885

“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.