SCHEMBL2804961

SCHEMBL2804961

CC(C)(CN)CNc1ncc2c(n1)-c1ccccc1C1(CCNCC1)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
FLT3 P36888 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3B P49841 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
PRKX P51817 1/20 0.33
JAK3 P52333 1/20 0.33
CDK5 Q00535 1/20 0.33
MAP4K2 Q12851 1/20 0.33
STK3 Q13188 1/20 0.33

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
SCHEMBL2801851 0.89 FGFR1 (0.34) PRKD3MAP4K4CDK2CSNK1A1GSK3B
SCHEMBL2803960 0.82 KDR (0.37) CDK2KDRKDM4EALDH1A1MAPT
SCHEMBL17043959 0.80
SCHEMBL2803913 0.80 KDM4E (0.33) KDRKDM4EALDH1A1MAPTMEN1
SCHEMBL2804238 0.79 TRIM58 (0.36) FLT3KDRKMT2APOLB
SCHEMBL2804670 0.79 KDM4E (0.40) FLT3KDRKDM4EALDH1A1MAPT
SCHEMBL2802514 0.78 KDR (0.40) CDK2GSK3BKDRKDM4EALDH1A1
SCHEMBL2804356 0.78 HDAC3 (0.39) CDK2CSNK1A1GSK3BKDR
SCHEMBL2802580 0.78 HDAC3 (0.43) CDK2KDRGAACYP1A2CYP3A4
SCHEMBL2805905 0.78 CTSB (0.39) CLK4ALDH1A1CYP1A2CYP3A4CYP2C19

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 CDC7 1630/4885DAPK3 1991/4885ROCK2 1087/4885

“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.