SCHEMBL2805582

SCHEMBL2805582

CNc1ncc2c(n1)-c1ccccc1C1(CCN(S(=O)(=O)c3cccc(C#N)c3)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
CCNH P51946 2/20 0.41
USP2 O75604 2/20 0.37
CYP3A4 P08684 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP1A2 P05177 1/20 0.37
GBA1 P04062 1/20 0.36
JAK1 P23458 4/20 0.36
SCN9A Q15858 2/20 0.36
OTUD7B Q6GQQ9 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
JAK2 O60674 3/20 0.36
TYK2 P29597 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
SCHEMBL2805583 1.00 CCNT1 (0.41) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2808986 0.91 GAA (0.41) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2808988 0.91 GAA (0.41) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2807741 0.88 ALDH1A1 (0.41) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2802631 0.88 TSHR (0.43) CCNA2CDK2USP2CYP3A4CYP1A2
SCHEMBL2802672 0.87 MEN1 (0.43) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2805749 0.87 HDAC3 (0.46) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2803443 0.86 TSHR (0.41) GBA1JAK1IKBKBJAK2ALDH1A1
SCHEMBL2806545 0.85 PKM (0.43) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2807424 0.85 L3MBTL1 (0.43) CYP1A2GBA1KMT2ASMN1; SMN2

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 CCNT1 224/4885CDK1 318/4885CCNB1 60/4885

“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.