SCHEMBL2806637

SCHEMBL2806637

COc1ccc(CC(=O)Nc2ccc(C3Cc4cnc(NCCCN5CCN(C)CC5)nc4-c4ccccc43)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 16/20 0.52
FGFR2 P21802 4/20 0.52
FGFR4 P22455 4/20 0.52
FGFR3 P22607 4/20 0.52
EGFR P00533 2/20 0.52
IKBKB O14920 1/20 0.43
FLT1 P17948 2/20 0.42
FLT4 P35916 2/20 0.42
KDR P35968 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL2802834 0.93 FGFR1 (0.54) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2803506 0.92 FGFR1 (0.48) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2808415 0.92 FGFR1 (0.50) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2806108 0.90 FGFR1 (0.51) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2803973 0.89 FGFR1 (0.47) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2802880 0.87 FGFR1 (0.58) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2802691 0.86 FGFR1 (0.54) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2803846 0.86 FGFR1 (0.44) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2806176 0.85 FGFR1 (0.46) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2807744 0.84 FGFR1 (0.46) FGFR1FGFR2FGFR4FGFR3EGFR

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 FGFR1 530/4885FGFR2 511/4885FGFR4 701/4885

“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.