SCHEMBL2804443

SCHEMBL2804443

CCCOCCNc1ncc2c(n1)-c1ccccc1C1(CCNCC1)C2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.35
FLT3 P36888 3/20 0.35
TYRO3 Q06418 3/20 0.35
GAS6 Q14393 3/20 0.35
KDR P35968 4/20 0.34
AXL P30530 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLK1 P53350 2/20 0.31
INSR P06213 1/20 0.31

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
SCHEMBL2804670 0.88 KDM4E (0.40) MERTKFLT3TYRO3GAS6KDR
SCHEMBL2806912 0.87 HTR7 (0.36) KDRALDH1A1PLK1INSR
SCHEMBL13273524 0.82 FGFR1 (0.40) MERTKFLT3TYRO3GAS6KDR
SCHEMBL2804238 0.82 TRIM58 (0.36) MERTKFLT3TYRO3GAS6KDR
SCHEMBL2803960 0.81 KDR (0.37) MERTKKDRKDM4EALDH1A1GAA
SCHEMBL2804032 0.81 HPGD (0.40) MERTKFLT3TYRO3GAS6KDR
SCHEMBL2804916 0.81 CASR (0.40) KDRPLK1INSR
SCHEMBL2806805 0.80 KDM4E (0.34) MERTKFLT3TYRO3GAS6KDR
SCHEMBL2804601 0.80 CCNA2 (0.39) MERTKFLT3TYRO3GAS6KDM4E
SCHEMBL2802006 0.79 HDAC3 (0.42) TYRO3KDRKDM4EMEN1ALDH1A1

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 MERTK 3268/4885FLT3 972/4885TYRO3 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.