SCHEMBL2803634

SCHEMBL2803634

O=C(COc1ccccc1)Nc1ccc(C2Cc3cnc(NCCCN4CCCC4)nc3-c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 1/20 0.40
FGFR1 P11362 6/20 0.39
FGFR2 P21802 2/20 0.39
RECQL P46063 1/20 0.39
EGFR P00533 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
MCHR1 Q99705 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
SCHEMBL2802254 0.89 FGFR1 (0.49) FGFR1FGFR2EGFRFGFR4FGFR3
SCHEMBL2808408 0.88 EPHX2 (0.45) GAANPC1ALDH1A1ACHEMAPT
SCHEMBL16360108 0.88 FGFR1 (0.47) NPC1RAB9AFGFR1FGFR2EGFR
SCHEMBL2806026 0.88 CHRNA7 (0.47) GAAMAPTFGFR1FGFR2MCHR1
SCHEMBL2802185 0.87 FGFR1 (0.40) FGFR1FGFR2EGFRFGFR4FGFR3
SCHEMBL2805576 0.85 MAPT (0.46) GAANPC1RAB9AALDH1A1MAPT
SCHEMBL2807118 0.85 FGFR1 (0.51) MAPTFGFR1FGFR2EGFRFGFR4
SCHEMBL2805616 0.85 CHRNA7 (0.48) FGFR1FGFR2EGFRFGFR4FGFR3
SCHEMBL2802954 0.85 FGFR1 (0.54) FGFR1FGFR2EGFRFGFR4FGFR3
SCHEMBL2803827 0.84 SIGMAR1 (0.44) GAAALDH1A1FGFR1FGFR2

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 5 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
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 GAA 853/4885NPC1 345/4885RAB9A 1875/4885

“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.