SCHEMBL2803942

SCHEMBL2803942

c1ccc2c(c1)OCC(CNc1ncc3c(n1)-c1ccccc1C1(CCNCC1)C3)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
GAA P10253 2/20 0.38
HTT P42858 5/20 0.37
MAPK1 P28482 4/20 0.37
NR2F2 P24468 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
ALOX12 P18054 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL2805377 0.82 MAPK1 (0.44) LMNASMN1; SMN2GAAMAPK1RAB9A
SCHEMBL2805355 0.80 RIPK2 (0.45)
SCHEMBL2803082 0.80 CDC7 (0.37) LMNASMN1; SMN2NPSR1HPGDALDH1A1
SCHEMBL2803323 0.80 CDC7 (0.37) LMNASMN1; SMN2NPSR1HPGDALDH1A1
SCHEMBL2805045 0.78 VNN1 (0.38) LMNASMN1; SMN2GAARAB9AMEN1
SCHEMBL2802580 0.77 HDAC3 (0.43) GAA
SCHEMBL2803960 0.77 KDR (0.37) GAAHPGDALDH1A1KDM4EMAPT
SCHEMBL2802792 0.76 PRKCQ (0.35) GAAHPGDALDH1A1KDM4EMAPT
SCHEMBL2809058 0.76 ACHE (0.40) ADRA1DADRA1AADRA1BLMNASMN1; SMN2
SCHEMBL2804670 0.75 KDM4E (0.40) GAAHTTMEN1KMT2APOLB

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 ADRA1D 1121/4885ADRA1A 1221/4885ADRA1B 458/4885

“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.