SCHEMBL2804758

SCHEMBL2804758

CCCC(=O)Nc1ccc(C2Cc3cnc(NCCCCN(C)C)nc3-c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 1/20 0.39
FGFR1 P11362 4/20 0.39
FGFR2 P21802 2/20 0.39
ADORA1 P30542 1/20 0.38
TERT O14746 3/20 0.37
LTA4H P09960 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGDS O60760 1/20 0.36
MERTK Q12866 1/20 0.36
EGFR P00533 2/20 0.35

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
SCHEMBL16360137 0.94 FGFR1 (0.40) MEN1KMT2ANPC1RAB9AFGFR1
SCHEMBL2807820 0.90 FGFR1 (0.40) NPC1RAB9AFGFR1FGFR2LTA4H
SCHEMBL2805009 0.88 FGFR1 (0.41) FGFR1FGFR2GAAMERTKEGFR
SCHEMBL2802460 0.88 FGFR1 (0.39) NPC1RAB9AFGFR1FGFR2KDM4E
SCHEMBL2804236 0.87 FGFR1 (0.38) FGFR1FGFR2MERTKEGFRCSF1R
SCHEMBL16360108 0.87 FGFR1 (0.47) MEN1KMT2ANPC1RAB9APKM
SCHEMBL2802870 0.87 SIRT2 (0.39) FGFR1FGFR2MERTKCSF1RFGFR3
SCHEMBL2805358 0.86 FGFR1 (0.42) MEN1KMT2ANPC1RAB9AFGFR1
SCHEMBL2805255 0.86 FGFR1 (0.44) NPC1RAB9AFGFR1FGFR2POLB
SCHEMBL13273853 0.86 FGFR1 (0.36) KMT2AFGFR1FGFR2POLBEGFR

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 MEN1 2137/4885KMT2A 662/4885NPC1 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.