SCHEMBL2808986

SCHEMBL2808986

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR6 P51684 7/20 0.40
CYP3A4 P08684 3/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CCNA1 P78396 1/20 0.38
FABP1 P07148 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL2808988 1.00 GAA (0.41) GAAL3MBTL1CCR6CYP3A4USP2
SCHEMBL2805582 0.91 CCNT1 (0.41) CYP3A4USP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL2805583 0.91 CCNT1 (0.41) CYP3A4USP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL2802631 0.90 TSHR (0.43) L3MBTL1CYP3A4USP2ALDH1A1SMN1; SMN2
SCHEMBL2802795 0.89 OXTR (0.44) GAAUSP2ALDH1A1SMN1; SMN2CCNA2
SCHEMBL2804198 0.88 PKM (0.40) GAACYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL2806646 0.88 HDAC3 (0.43) L3MBTL1CYP3A4USP2ALDH1A1SMN1; SMN2
SCHEMBL2804994 0.87 PKM (0.42) CCR6CYP3A4USP2ALDH1A1MEN1
SCHEMBL2804618 0.86 SMN1; SMN2 (0.41) CYP3A4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2806488 0.86 HDAC3 (0.46) GAAL3MBTL1CCR6ALDH1A1IKBKB

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 GAA 853/4885L3MBTL1 3477/4885CCR6 803/4885

“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.