SCHEMBL2804869

SCHEMBL2804869

O=C(Nc1ccc(C2Cc3cnc(NCCCN4CCCC4)nc3-c3ccccc32)cc1)c1ccc2nccnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NAMPT P43490 3/20 0.39
MCHR1 Q99705 2/20 0.39
CHRNA7 P36544 2/20 0.39
KCNH2 Q12809 2/20 0.39
MAPK14 Q16539 4/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
LCK P06239 3/20 0.38
KDR P35968 3/20 0.38
FGFR1 P11362 3/20 0.38
JAK3 P52333 1/20 0.38
FGFR2 P21802 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL2806026 0.90 CHRNA7 (0.47) LMNAMAPTNAMPTMCHR1CHRNA7
SCHEMBL2803008 0.87 TRPV1 (0.43) RIPK1RIPK3ALDH1A1LMNAMAPT
SCHEMBL2809464 0.86 OPRK1 (0.43) LMNAMAPTNAMPTDRD2FGFR1
SCHEMBL2805576 0.86 MAPT (0.46) ALDH1A1LMNAMAPTTSHRMCHR1
SCHEMBL2802254 0.85 FGFR1 (0.49) FGFR1FGFR2
SCHEMBL2804688 0.84 FGFR1 (0.49) ALDH1A1MAPTMAPK14LCKKDR
SCHEMBL2803985 0.84 MAPT (0.43) ALDH1A1MAPTNAMPTCHRNA7KCNH2
SCHEMBL2802243 0.83 FGFR1 (0.50) LCKFGFR1FGFR2
SCHEMBL14644925 0.83 HTT (0.46) ALDH1A1LMNAFGFR1FGFR2
SCHEMBL2807118 0.83 FGFR1 (0.51) MAPTKDRFGFR1FGFR2

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 RIPK1 4654/4885RIPK3 4510/4885ALDH1A1 510/4885

“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.