SCHEMBL2802471

SCHEMBL2802471

CCOC(=O)N1CCN(c2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
PTPN11 Q06124 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
TP53 P04637 1/20 0.43
ATM Q13315 2/20 0.42
PDK2 Q15119 1/20 0.41
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
LMNA P02545 2/20 0.39
SMO Q99835 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
KCNH2 Q12809 1/20 0.38
HRH1 P35367 1/20 0.38
ADRB2 P07550 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2803869 0.84 MAPK8 (0.53) KCNH2L3MBTL1
SCHEMBL2802049 0.82 ALDH1A1 (0.43) MAPTMEN1KMT2ATP53KDM4E
SCHEMBL2804073 0.80 LMNA (0.43) MAPTPOLBLMNASMN1; SMN2GAA
SCHEMBL2805621 0.78 ALDH1A1 (0.40) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL2808022 0.78 ALDH1A1 (0.46) TP53CASP1CASP7LMNASMN1; SMN2
SCHEMBL2803911 0.78 HTR3A (0.35) MAPTPTPN11MEN1KMT2ATP53
SCHEMBL2805709 0.78 CYP11B2 (0.37) MAPTMEN1KMT2AMAPK1CASP1
SCHEMBL2805444 0.77 ADRB2 (0.41) KCNH2ADRB2
SCHEMBL2805783 0.77 ALDH1A1 (0.36) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL2805183 0.77 SIGMAR1 (0.44) KMT2APOLBKDM4ELMNASMN1; 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 MAPT 1884/4885PTPN11 2677/4885MEN1 2137/4885

“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.