SCHEMBL2803016

SCHEMBL2803016

CNc1ncc2c(n1)-c1ccccc1C1(CCN(Cc3ccc(OC)c(OC)c3)CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDR P35968 1/20 0.41
PLK1 P53350 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IGF1R P08069 1/20 0.39
KCNH2 Q12809 1/20 0.39
SSTR5 P35346 2/20 0.39
FAAH O00519 1/20 0.39
ACHE P22303 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL2803621 0.89 SIGMAR1 (0.46) KMT2AMEN1KDRKDM4EALDH1A1
SCHEMBL2803126 0.88 SIGMAR1 (0.53) KDRPLK1KDM4EALDH1A1SIGMAR1
SCHEMBL2804912 0.87 CHKA (0.41) KMT2ASIGMAR1ACHE
SCHEMBL2805415 0.86 SIGMAR1 (0.46) KMT2AMEN1ALDH1A1SIGMAR1MAPK1
SCHEMBL2804117 0.86 SIGMAR1 (0.41) PLK1ALDH1A1SIGMAR1IGF1RKCNH2
SCHEMBL2802601 0.85 SIGMAR1 (0.47) KDRPLK1KDM4EALDH1A1SIGMAR1
SCHEMBL2805196 0.85 SIGMAR1 (0.50) KDRKDM4EALDH1A1SIGMAR1MAPK1
SCHEMBL2804751 0.85 SIGMAR1 (0.40) PLK1ALDH1A1SIGMAR1IGF1RMAPT
SCHEMBL2803730 0.84 SIGMAR1 (0.45) ALDH1A1SIGMAR1
SCHEMBL2801907 0.84 PLK1 (0.44) PLK1ALDH1A1SIGMAR1IGF1R

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 KMT2A 662/4885MEN1 2137/4885KDR 1416/4885

“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.