SCHEMBL2802181

SCHEMBL2802181

CNc1ncc2c(n1)-c1ccccc1C1(CCN(S(=O)(=O)c3ccccc3F)CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FEN1 P39748 4/20 0.36
ALOX5AP P20292 3/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
CNR2 P34972 2/20 0.35
FABP1 P07148 1/20 0.35
PKM P14618 1/20 0.35
NR3C1 P04150 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2804747 0.90 HDAC1 (0.44) FEN1ALOX5APFABP1NR3C1
SCHEMBL2803929 0.90 FGFR4 (0.39) ALDH1A1MAPK1GAA
SCHEMBL2804198 0.87 PKM (0.40) KMT2AALDH1A1SMN1; SMN2PKMGAA
SCHEMBL2802631 0.87 TSHR (0.43) KMT2AL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2804055 0.85 MEN1 (0.40) KMT2AL3MBTL1RAB9AMAPK1PKM
SCHEMBL2805749 0.85 HDAC3 (0.46) KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL2802795 0.84 OXTR (0.44) RAB9AALDH1A1SMN1; SMN2PKMGAA
SCHEMBL2806646 0.83 HDAC3 (0.43) KMT2AL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2806488 0.83 HDAC3 (0.46) L3MBTL1ALDH1A1PKMGAA
SCHEMBL2806545 0.83 PKM (0.43) KMT2AALDH1A1SMN1; SMN2PKM

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
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 KMT2A 662/4885L3MBTL1 3477/4885FEN1 4024/4885

“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.