SCHEMBL2803323

SCHEMBL2803323

c1ccc2c(c1)-c1nc(NCC3CCCCC3)ncc1CC21CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
ROCK2 O75116 1/20 0.37
CCNB2 O95067 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
RET P07949 1/20 0.37
CCNB1 P14635 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
AXL P30530 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 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
SCHEMBL2803082 1.00 CDC7 (0.37) CDC7IRAK4ROCK2CCNB2MAP4K4
SCHEMBL2805355 0.90 RIPK2 (0.45) IRAK4AXLFLT3TYRO3MERTK
SCHEMBL2805377 0.85 MAPK1 (0.44) KDM1ALMNACYP2C9KDM4EALDH1A1
SCHEMBL2804819 0.83 VNN1 (0.40) IRAK4LMNACYP3A4KDM4EALDH1A1
SCHEMBL2803960 0.81 KDR (0.37) CDK2MERTKCYP3A4KDM4EALDH1A1
SCHEMBL2803942 0.80 ADRA1D (0.40) LMNAKDM4EALDH1A1MAPTHPGD
SCHEMBL2804601 0.80 CCNA2 (0.39) CDK2FLT3TYRO3MERTKGAS6
SCHEMBL2803978 0.79 MKNK1 (0.39) CDK2FLT3TYRO3MERTKGAS6
SCHEMBL2802084 0.79 MKNK1 (0.39) CDK2FLT3TYRO3MERTKGAS6
SCHEMBL2804356 0.79 HDAC3 (0.39) CDK2GSK3BMERTK

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 1630/4885IRAK4 3775/4885ROCK2 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.