SCHEMBL2803984

SCHEMBL2803984

CNc1ncc2c(n1)-c1ccccc1C1(CCN(Cc3ccccc3C)CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.37
CYP2A13 Q16696 1/20 0.37
TP53 P04637 1/20 0.37
ACHE P22303 3/20 0.36
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HCRTR2 O43614 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
IGF1R P08069 1/20 0.34
FABP6 P51161 1/20 0.33

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
SCHEMBL2807860 0.89 TP53 (0.38) MAPTCYP2A13TP53OPRM1KCNH2
SCHEMBL2805030 0.89 POLB (0.38) MAPTCYP2A13ACHEKCNH2ALDH1A1
SCHEMBL2805415 0.87 SIGMAR1 (0.46) KMT2ATP53OPRM1ALDH1A1MEN1
SCHEMBL2805196 0.86 SIGMAR1 (0.50) LMNATP53ALDH1A1SIGMAR1
SCHEMBL2805406 0.86 SIGMAR1 (0.35) MAPTKMT2ALMNAOPRM1ALDH1A1
SCHEMBL2802601 0.84 SIGMAR1 (0.47) TP53ALDH1A1SIGMAR1
SCHEMBL2804751 0.84 SIGMAR1 (0.40) MAPTALDH1A1HCRTR2SIGMAR1IGF1R
SCHEMBL2803730 0.83 SIGMAR1 (0.45) TP53ALDH1A1SIGMAR1
SCHEMBL2804912 0.83 CHKA (0.41) KMT2AACHESIGMAR1
SCHEMBL2803126 0.82 SIGMAR1 (0.53) ALDH1A1SIGMAR1IGF1R

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 MAPT 1884/4885KMT2A 662/4885LMNA 1658/4885

“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.