SCHEMBL2803848

SCHEMBL2803848

Clc1ccccc1CN1CCN(c2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
PLA2G1B P04054 1/20 0.40
RAB9A P51151 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38
CNR1 P21554 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GRM2 Q14416 1/20 0.37
BCL2L1 Q07817 2/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2802561 0.89 POLB (0.47) MAPTTP53ALDH1A1KDM4ECNR1
SCHEMBL2804073 0.86 LMNA (0.43) MAPTALDH1A1HTTGAACNR1
SCHEMBL2805183 0.85 SIGMAR1 (0.44) ALDH1A1KDM4EGAASIGMAR1OPRM1
SCHEMBL2808022 0.83 ALDH1A1 (0.46) TP53ALDH1A1RAB9AHTTGAA
SCHEMBL2805444 0.83 ADRB2 (0.41)
SCHEMBL2806007 0.80 TLR9 (0.40) SMN1; SMN2DRD3
SCHEMBL2802049 0.79 ALDH1A1 (0.43) MAPTTP53ALDH1A1KDM4ECNR1
SCHEMBL2805621 0.79 ALDH1A1 (0.40) MAPTTP53ALDH1A1RAB9AGAA
SCHEMBL2805783 0.78 ALDH1A1 (0.36) MAPTALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL2807860 0.78 TP53 (0.38) MAPTTP53ALDH1A1KDM4EPLA2G1B

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 1884/4885TP53 8/4885ALDH1A1 510/4885

“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.