SCHEMBL2803869

SCHEMBL2803869

CCOC(=O)N1CCC(Nc2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.53
MAPK9 P45984 4/20 0.53
MAPK10 P53779 3/20 0.53
CDK2 P24941 9/20 0.49
CDK1 P06493 3/20 0.49
CDK4 P11802 3/20 0.49
CCND1 P24385 3/20 0.49
CCNA2 P20248 4/20 0.48
CCNA1 P78396 4/20 0.48
NOS2 P35228 2/20 0.46
AURKA O14965 1/20 0.45
JUN P05412 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL2804162 0.85 MAPK7 (0.47) MAPK8MAPK9MAPK10CDK2CDK1
SCHEMBL2802471 0.84 MAPT (0.46) L3MBTL1KCNH2
SCHEMBL2804118 0.81 ADORA1 (0.45) MAPK8MAPK9MAPK10JUN
SCHEMBL2804121 0.81 ADORA1 (0.45) MAPK8MAPK9MAPK10JUN
SCHEMBL2805033 0.81 GRM5 (0.40) MAPK8MAPK9MAPK10CDK2CDK1
SCHEMBL2808232 0.81 ACHE (0.45)
SCHEMBL1185118 0.79 KDR (0.57) MAPK8MAPK9MAPK10CDK2CDK1
SCHEMBL2803555 0.79 CDK2 (0.34) MAPK8CDK2CDK1CDK4CCND1
SCHEMBL2803972 0.78 CXCR4 (0.46)
SCHEMBL2803960 0.75 KDR (0.37) CDK2CCNA2

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 MAPK8 2998/4885MAPK9 2168/4885MAPK10 2061/4885

“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.