SCHEMBL2805393

SCHEMBL2805393

CNc1ncc2c(n1)-c1ccccc1C1(CCN(Cc3cccc(C(F)(F)F)c3)CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
IGF1R P08069 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2803944 0.90 SIGMAR1 (0.41) OPRL1ALDH1A1GAAKDM4EHCRTR2
SCHEMBL2803119 0.89 MEN1 (0.39) ALDH1A1GAA
SCHEMBL2804751 0.88 SIGMAR1 (0.40) ALDH1A1IGF1RHCRTR1HCRTR2SIGMAR1
SCHEMBL2805415 0.87 SIGMAR1 (0.46) ALDH1A1SIGMAR1MAPK1
SCHEMBL2801907 0.87 PLK1 (0.44) ALDH1A1IGF1RSIGMAR1
SCHEMBL2803621 0.86 SIGMAR1 (0.46) ALDH1A1GAAKDM4ESIGMAR1
SCHEMBL2804912 0.85 CHKA (0.41) OPRL1SIGMAR1
SCHEMBL2803924 0.84 DRD4 (0.42) ALDH1A1HCRTR1HCRTR2FAAH
SCHEMBL2803925 0.84 DRD4 (0.42) ALDH1A1HCRTR1HCRTR2FAAH
SCHEMBL2803730 0.84 SIGMAR1 (0.45) ALDH1A1SIGMAR1

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 5 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

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 OPRL1 964/4885ALDH1A1 510/4885GAA 853/4885

“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.