SCHEMBL2804238

SCHEMBL2804238

CN(C)CCCNc1ncc2c(n1)-c1ccccc1C1(CCNCC1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.36
FLT3 P36888 5/20 0.35
MERTK Q12866 4/20 0.35
TYRO3 Q06418 3/20 0.35
GAS6 Q14393 3/20 0.35
IKBKB O14920 1/20 0.35
AXL P30530 2/20 0.34
PLK1 P53350 5/20 0.34
PLK3 Q9H4B4 3/20 0.34
PDGFRB P09619 2/20 0.34
KIT P10721 2/20 0.34
FGFR1 P11362 2/20 0.34
KDR P35968 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
SLC2A1 P11166 1/20 0.34
APOBEC3A P31941 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13273524 0.91 FGFR1 (0.40) FLT3MERTKTYRO3GAS6AXL
SCHEMBL2804032 0.85 HPGD (0.40) FLT3MERTKTYRO3GAS6AXL
SCHEMBL2801851 0.83 FGFR1 (0.34) FGFR1KDRIGF1R
SCHEMBL13273733 0.83 MAPK1 (0.34) KDRPOLBKMT2A
SCHEMBL2804670 0.83 KDM4E (0.40) FLT3MERTKTYRO3GAS6AXL
SCHEMBL2804689 0.82 LMNA (0.33)
SCHEMBL2803960 0.82 KDR (0.37) MERTKPLK1KDR
SCHEMBL2803978 0.82 MKNK1 (0.39) FLT3MERTKTYRO3GAS6FGFR1
SCHEMBL2802084 0.82 MKNK1 (0.39) FLT3MERTKTYRO3GAS6FGFR1
SCHEMBL2804443 0.82 MERTK (0.35) FLT3MERTKTYRO3GAS6AXL

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 TRIM58 4147/4885FLT3 972/4885MERTK 3268/4885

“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.