SCHEMBL2804119

SCHEMBL2804119

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3ccc(OC)c(OC)c3)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.45
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PLK1 P53350 1/20 0.41
NUAK1 O60285 1/20 0.41
ALDH1A1 P00352 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL2802776 0.89 LMNA (0.47) KDM4ELMNAALDH1A1
SCHEMBL2803732 0.89 ALDH1A1 (0.49) KDM4ETSHRALDH1A1
SCHEMBL2802240 0.88 HTR1A (0.47) LMNATSHRALDH1A1
SCHEMBL2803187 0.87 L3MBTL1 (0.47) TSHRPLK1
SCHEMBL13273706 0.87 L3MBTL1 (0.47) TSHRPLK1
SCHEMBL2802255 0.86 CYP1A2 (0.43) LMNAALDH1A1
SCHEMBL2808004 0.86 HTR1A (0.47) LRRK2
SCHEMBL2802169 0.86 MAPT (0.43) KDM4EALDH1A1
SCHEMBL2805019 0.85 GABRD (0.43) KDM4ELMNAALDH1A1
SCHEMBL2803489 0.85 CYP1A2 (0.46) KDM4EALDH1A1

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 LRRK2 2229/4885KDM4E 679/4885LMNA 1658/4885

“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.