SCHEMBL2804073

SCHEMBL2804073

Cc1ccc(CN2CCN(c3ncc4c(n3)-c3ccccc3C3(CCNCC3)C4)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
POLB P06746 2/20 0.43
SIGMAR1 Q99720 4/20 0.41
AKT1 P31749 1/20 0.39
HTT P42858 2/20 0.38
HSP90AB1 P08238 2/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CXCR4 P61073 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR3A P46098 1/20 0.35
KDM1A O60341 1/20 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
SCHEMBL2808022 0.91 ALDH1A1 (0.46) LMNASIGMAR1HTTCNR1ALDH1A1
SCHEMBL2803848 0.86 MAPT (0.46) SIGMAR1HTTMAPTTDP1CNR1
SCHEMBL2805183 0.85 SIGMAR1 (0.44) LMNAPOLBSIGMAR1ALDH1A1GAA
SCHEMBL2802561 0.84 POLB (0.47) LMNAPOLBMAPTCNR1ALDH1A1
SCHEMBL2806007 0.80 TLR9 (0.40) POLBSMN1; SMN2
SCHEMBL2805444 0.80 ADRB2 (0.41)
SCHEMBL2802471 0.80 MAPT (0.46) LMNAPOLBMAPTTDP1TSHR
SCHEMBL2802049 0.79 ALDH1A1 (0.43) MAPTTDP1CNR1ALDH1A1TSHR
SCHEMBL2805621 0.79 ALDH1A1 (0.40) LMNAMAPTALDH1A1TSHRGAA
SCHEMBL2805196 0.79 SIGMAR1 (0.50) LMNAPOLBSIGMAR1HTTALDH1A1

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
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 LMNA 1658/4885POLB 667/4885SIGMAR1 2817/4885

“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.