SCHEMBL2802049

SCHEMBL2802049

O=C(CN1CCN(c2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)CC1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.36
DCK P27707 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.34
DPP4 P27487 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HIF1A Q16665 2/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL2802471 0.82 MAPT (0.46) KDM4ETDP1MEN1MAPTTP53
SCHEMBL2805183 0.80 SIGMAR1 (0.44) ALDH1A1KDM4EKMT2AGFERSMN1; SMN2
SCHEMBL2802561 0.79 POLB (0.47) ALDH1A1KDM4EMAPTTP53KMT2A
SCHEMBL2803848 0.79 MAPT (0.46) ALDH1A1KDM4ETDP1MAPTTP53
SCHEMBL2806007 0.79 TLR9 (0.40) SMN1; SMN2HTR1AHRH3
SCHEMBL2804073 0.79 LMNA (0.43) ALDH1A1TDP1MAPTTSHRSMN1; SMN2
SCHEMBL2805621 0.77 ALDH1A1 (0.40) ALDH1A1MEN1MAPTTP53TSHR
SCHEMBL2808022 0.77 ALDH1A1 (0.46) ALDH1A1TP53TSHRSMN1; SMN2HTR2C
SCHEMBL2805709 0.77 CYP11B2 (0.37) ALDH1A1MEN1MAPTTSHRKMT2A
SCHEMBL2805783 0.77 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1MEN1MAPT

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 5 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
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 ALDH1A1 510/4885KDM4E 679/4885TDP1 1609/4885

“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.