SCHEMBL2803913

SCHEMBL2803913

CC(Nc1ncc2c(n1)-c1ccccc1C1(CCNCC1)C2)C(C)(C)N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KPNA2 P52292 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 8/20 0.32
GAA P10253 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 2/20 0.31
RCE1 Q9Y256 1/20 0.31
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
PLK1 P53350 3/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL13273733 0.83 MAPK1 (0.34) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL2803960 0.83 KDR (0.37) KDM4EALDH1A1MAPTKDRGAA
SCHEMBL2804961 0.80 CDC7 (0.33) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL17043959 0.79
SCHEMBL2803854 0.78 MAPK14 (0.34) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL2804670 0.78 KDM4E (0.40) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL2806117 0.77 NPC1 (0.41) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL2803555 0.77 CDK2 (0.34) ALDH1A1MAPTKDRCDK4CCND1
SCHEMBL2801851 0.76 FGFR1 (0.34) KDRLMNA
SCHEMBL2806805 0.76 KDM4E (0.34) KDM4EALDH1A1MAPTHTTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 679/4885ALDH1A1 510/4885MAPT 1884/4885

“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.