SCHEMBL2808022

SCHEMBL2808022

COc1ccc(CN2CCN(c3ncc4c(n3)-c3ccccc3C3(CCNCC3)C4)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 6/20 0.44
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
RAB9A P51151 1/20 0.40
CYP3A4 P08684 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP2C9 P11712 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
USP2 O75604 2/20 0.39

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
SCHEMBL2804073 0.91 LMNA (0.43) ALDH1A1HPGDHSD17B10LMNAGAA
SCHEMBL2803848 0.83 MAPT (0.46) ALDH1A1GAAHTTSMN1; SMN2SIGMAR1
SCHEMBL2805183 0.82 SIGMAR1 (0.44) ALDH1A1LMNAGAASMN1; SMN2SIGMAR1
SCHEMBL2802561 0.82 POLB (0.47) ALDH1A1LMNADRD2HTR2CHTR2B
SCHEMBL2803126 0.80 SIGMAR1 (0.53) ALDH1A1GAASMN1; SMN2SIGMAR1DRD2
SCHEMBL2806007 0.78 TLR9 (0.40) SMN1; SMN2DRD3
SCHEMBL2805444 0.78 ADRB2 (0.41) CYP3A4
SCHEMBL2802471 0.78 MAPT (0.46) HPGDLMNAGAATSHRSMN1; SMN2
SCHEMBL2802049 0.77 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2HTR2CHIF1A
SCHEMBL2805621 0.77 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10LMNAGAA

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 6 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
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 ALDH1A1 510/4885HPGD 160/4885HSD17B10 2234/4885

“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.