SCHEMBL2805151

SCHEMBL2805151

CCOC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C4Cc5cnc(NCCCN6CCN(C)CC6)nc5-c5ccccc54)cc3)o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.42
FGFR1 P11362 9/20 0.39
EGFR P00533 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
FLT3 P36888 2/20 0.38
TYRO3 Q06418 2/20 0.38
MERTK Q12866 2/20 0.38
GAS6 Q14393 2/20 0.38
CHRNA7 P36544 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
SCHEMBL17057560 0.95 MAPT (0.43) MAPTKDM4ENPC1USP2ALDH1A1
SCHEMBL2804882 0.86 FGFR1 (0.44) MAPTKDM4EALDH1A1FGFR1EGFR
SCHEMBL2804688 0.83 FGFR1 (0.49) MAPTKDM4EALDH1A1RAB9AFGFR1
SCHEMBL2806108 0.83 FGFR1 (0.51) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL2802243 0.81 FGFR1 (0.50) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL2807744 0.80 FGFR1 (0.46) MAPTTP53FGFR1EGFRFGFR2
SCHEMBL2805576 0.80 MAPT (0.46) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL2806637 0.79 FGFR1 (0.52) ALDH1A1FGFR1EGFRFGFR2FGFR4
SCHEMBL2802880 0.79 FGFR1 (0.58) MAPTSMN1; SMN2FGFR1EGFRFGFR2
SCHEMBL2802834 0.78 FGFR1 (0.54) NPC1RAB9AFGFR1EGFRFGFR2

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
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 MAPT 1884/4885KDM4E 679/4885NPC1 345/4885

“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.