SCHEMBL2802795

SCHEMBL2802795

CNc1ncc2c(n1)-c1ccccc1C1(CCN(S(=O)(=O)c3ccc(C)cc3)CC1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP2C19 P33261 1/20 0.41
KDR P35968 1/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD11B1 P28845 2/20 0.37
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 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
SCHEMBL2802631 0.93 TSHR (0.43) HDAC3HDAC1HDAC2HDAC6CYP2C19
SCHEMBL2804198 0.92 PKM (0.40) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL2806646 0.92 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6CYP2C19
SCHEMBL2804994 0.90 PKM (0.42) KDRPKMHTTALDH1A1HSD11B1
SCHEMBL2808986 0.89 GAA (0.41) CYP2C19SMN1; SMN2GAAALDH1A1HSD11B1
SCHEMBL2806488 0.89 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL2804618 0.89 SMN1; SMN2 (0.41) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL2806545 0.89 PKM (0.43) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL2806016 0.88 MEN1 (0.40) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL2803885 0.88 KMT2A (0.48) LMNAPKMGAAALDH1A1USP2

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 OXTR 4594/4885HDAC3 1033/4885HDAC1 1006/4885

“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.