SCHEMBL2802561

SCHEMBL2802561

Fc1ccccc1CN1CCN(c2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MAPT P10636 5/20 0.37
KMT2A Q03164 2/20 0.37
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
BCL2L1 Q07817 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 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
SCHEMBL2803848 0.89 MAPT (0.46) MAPTDRD2DRD4DRD3BCL2L1
SCHEMBL2805183 0.85 SIGMAR1 (0.44) POLBKMT2ADRD2DRD4DRD3
SCHEMBL2804073 0.84 LMNA (0.43) POLBMAPTALDH1A1CNR1LMNA
SCHEMBL2805621 0.82 ALDH1A1 (0.40) MAPTKMT2AALDH1A1TP53LMNA
SCHEMBL2808022 0.82 ALDH1A1 (0.46) DRD2DRD4DRD3ALDH1A1CNR1
SCHEMBL2806007 0.80 TLR9 (0.40) POLBDRD3
SCHEMBL2802049 0.79 ALDH1A1 (0.43) MAPTKMT2AALDH1A1KDM4ECNR1
SCHEMBL2804732 0.78 ADRB1 (0.52) POLBKMT2AALDH1A1KDM4EHTR2C
SCHEMBL2805030 0.78 POLB (0.38) POLBMAPTALDH1A1
SCHEMBL2805444 0.78 ADRB2 (0.41)

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 POLB 667/4885MAPT 1884/4885KMT2A 662/4885

“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.