SCHEMBL2809555

SCHEMBL2809555

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
CCNK O75909 2/20 0.40
CDK12 Q9NYV4 2/20 0.40
HTT P42858 1/20 0.40
CCNA2 P20248 4/20 0.40
CDK2 P24941 4/20 0.40
NAMPT P43490 4/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
JAK2 O60674 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ATR Q13535 1/20 0.37
AVPR1A P37288 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL2802255 0.90 CYP1A2 (0.43) CRBNCCNA2CDK2CYP2C19CYP1A2
SCHEMBL2802169 0.89 MAPT (0.43) CCNA2CDK2
SCHEMBL2802920 0.88 KDM4E (0.46) CCNKCDK12HTTCCNA2CDK2
SCHEMBL2803489 0.88 CYP1A2 (0.46) HTTCCNA2CDK2CYP1A2CYP3A4
SCHEMBL2803732 0.87 ALDH1A1 (0.49) CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL2805218 0.86 PKLR (0.39) CCNA2CDK2NAMPTTSHRJAK2
SCHEMBL2805702 0.86 SLC6A7 (0.42) HTTCCNA2CDK2CYP2C19TSHR
SCHEMBL2804723 0.86 EPHX2 (0.43) HTTCCNA2CDK2NAMPTCYP2C19
SCHEMBL2805220 0.86 PKLR (0.39) CCNA2CDK2NAMPTTSHRJAK2
SCHEMBL2802240 0.86 HTR1A (0.47) HTTTSHR

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 CRBN 3080/4885CCNK 69/4885CDK12 311/4885

“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.