SCHEMBL2802715

SCHEMBL2802715

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)Nc3ccc(C)cc3)CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
NAMPT P43490 1/20 0.42
NPY5R Q15761 8/20 0.41
FAAH O00519 1/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL2802712 1.00 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL2802647 0.94 NPY5R (0.43) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL2802649 0.94 NPY5R (0.43) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL2804422 0.92 NPY5R (0.47) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL2805890 0.92 NPY5R (0.47) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL2805893 0.92 NPY5R (0.47) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL2804420 0.92 NPY5R (0.47) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL13273931 0.90 NPY5R (0.49) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL2805381 0.90 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTNPY5RFAAH
SCHEMBL2805386 0.90 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTNPY5RFAAH

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 3 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-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 HDAC3 1033/4885HDAC1 1006/4885HDAC2 717/4885

“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.