SCHEMBL2806016

SCHEMBL2806016

CNc1ncc2c(n1)-c1ccccc1C1(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HSD11B1 P28845 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
IKBKB O14920 2/20 0.35
LPAR1 Q92633 2/20 0.34
RECQL P46063 1/20 0.34
LPAR2 Q9HBW0 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34

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
SCHEMBL2804055 0.92 MEN1 (0.40) MEN1KMT2AMAPK1RAB9AHDAC3
SCHEMBL2806646 0.91 HDAC3 (0.43) MEN1KMT2ASMN1; SMN2MAPK1HSD11B1
SCHEMBL2802672 0.90 MEN1 (0.43) MEN1KMT2AMAPK1HSD11B1CCNT1
SCHEMBL2806545 0.90 PKM (0.43) MEN1KMT2ASMN1; SMN2HDAC3HDAC1
SCHEMBL2802631 0.89 TSHR (0.43) MEN1KMT2ASMN1; SMN2MAPK1HDAC3
SCHEMBL2802795 0.88 OXTR (0.44) SMN1; SMN2RAB9AHSD11B1HDAC3HDAC1
SCHEMBL2807741 0.88 ALDH1A1 (0.41) MEN1KMT2AMAPK1HDAC3HDAC1
SCHEMBL2804198 0.87 PKM (0.40) MEN1KMT2ASMN1; SMN2HDAC3HDAC1
SCHEMBL2802952 0.87 L3MBTL1 (0.48) SMN1; SMN2MAPK1HSD11B1HDAC3HDAC1
SCHEMBL2805749 0.87 HDAC3 (0.46) MEN1KMT2ASMN1; SMN2HDAC3HDAC1

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 MEN1 2137/4885KMT2A 662/4885SMN1; SMN2 1444/4885

“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.