SCHEMBL2804916

SCHEMBL2804916

COc1ccccc1CCNc1ncc2c(n1)-c1ccccc1C1(CCNCC1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.40
IP6K1 Q92551 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
JAK2 O60674 1/20 0.37
SRC P12931 1/20 0.37
TNK2 Q07912 1/20 0.37
ALK Q9UM73 1/20 0.37
IGF1R P08069 4/20 0.35
PLK1 P53350 2/20 0.35
AURKA O14965 2/20 0.35
CYP2D6 P10635 2/20 0.35
USP2 O75604 1/20 0.35
JAK3 P52333 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
FYN P06241 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL2802006 0.86 HDAC3 (0.42) HTR2APLK1HDAC3HDAC1HDAC2
SCHEMBL2804670 0.81 KDM4E (0.40) HTR7PLK1KDRINSR
SCHEMBL2804178 0.81 KDR (0.38) HTR2AHTR7HTR6IGF1RAURKA
SCHEMBL2802929 0.81 HDAC3 (0.41) PLK1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL2804443 0.81 MERTK (0.35) PLK1KDRINSR
SCHEMBL2806912 0.81 HTR7 (0.36) CASRHTR7HTR6PLK1KDR
SCHEMBL2804032 0.81 HPGD (0.40) IGF1RKDR
SCHEMBL2802664 0.80 KDR (0.32) HTR2AHTR7HTR6PLK1SIGMAR1
SCHEMBL2807886 0.80 MKNK1 (0.40) HTR2AHTR7HTR6JAK2SRC
SCHEMBL2805814 0.80 KDR (0.31) PLK1KDR

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 CASR 4868/4885IP6K1 1247/4885HTR1A 1174/4885

“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.