SCHEMBL2802867

SCHEMBL2802867

COc1ccc(OC)c(CCNC(=O)Nc2ccc(C3Cc4cnc(NCCCCN(C)C)nc4-c4ccccc43)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
SELP P16109 1/20 0.39
TYRO3 Q06418 1/20 0.39
FGFR1 P11362 3/20 0.37
FGFR2 P21802 2/20 0.37
FGFR3 P22607 2/20 0.37
EGFR P00533 1/20 0.37
FGFR4 P22455 1/20 0.37
HIF1A Q16665 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
QPCT Q16769 1/20 0.36

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
SCHEMBL2802534 0.91 CNR1 (0.43) NAMPTSELPTYRO3FGFR1FGFR2
SCHEMBL14644933 0.90 SELP (0.40) SELPTYRO3FGFR1FGFR2FGFR3
SCHEMBL2805255 0.89 FGFR1 (0.44) SELPTYRO3FGFR1FGFR2FGFR3
SCHEMBL2805644 0.86 PTK2 (0.40) NAMPTSELPTYRO3FGFR1FGFR2
SCHEMBL16360138 0.85 IKBKB (0.36) SELPTYRO3FGFR1FGFR2FGFR3
SCHEMBL2803988 0.82 CSF1R (0.41) NAMPTSELPTYRO3FGFR1FGFR2
SCHEMBL2805009 0.82 FGFR1 (0.41) NAMPTFGFR1FGFR2FGFR3EGFR
SCHEMBL2802460 0.82 FGFR1 (0.39) NAMPTTYRO3FGFR1FGFR2FGFR3
SCHEMBL2807820 0.81 FGFR1 (0.40) NAMPTSELPTYRO3FGFR1FGFR2
SCHEMBL2804236 0.81 FGFR1 (0.38) NAMPTFGFR1FGFR2FGFR3EGFR

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 NAMPT 546/4885SELP 1190/4885TYRO3 2026/4885

“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.