SCHEMBL2802547

SCHEMBL2802547

N#Cc1c(NC(=O)OCCc2ccccn2)ncc2c1-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
RECQL P46063 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NAAA Q02083 1/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 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
SCHEMBL2805222 0.90 CHEK1 (0.32) MAPTHTTSMN1; SMN2LMNACYP3A4
SCHEMBL2804693 0.89 ALDH1A1 (0.36) RECQLLMNACYP3A4CYP2C19ALDH1A1
SCHEMBL2803313 0.88 SLC6A2 (0.31) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL2803902 0.87 CYP2C19 (0.34) RAB9ANPC1MAPTHTTSMN1; SMN2
SCHEMBL2803262 0.86 CHEK1 (0.36) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL2805160 0.86 ALDH1A1 (0.34) RAB9ANPC1KMT2AMAPTHTT
SCHEMBL2805732 0.86 CHEK1 (0.32) KMT2AMEN1ALDH1A1SLC6A3
SCHEMBL2802823 0.85 SLC6A4 (0.35) MAPTHTTLMNASLC6A2SLC6A4
SCHEMBL2805043 0.85 CHRM3 (0.37) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL2803852 0.85 HRH3 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1PKM

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 6 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-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 RAB9A 1875/4885NPC1 345/4885KMT2A 662/4885

“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.