SCHEMBL2803852

SCHEMBL2803852

N#Cc1c(NC(=O)OCCCN2CCCCC2)ncc2c1-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.45
SLC6A4 P31645 6/20 0.45
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2C P28335 3/20 0.37
SMYD2 Q9NRG4 1/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2808313 0.93 MET (0.38) HRH3SLC6A4HTR2C
SCHEMBL2803902 0.90 CYP2C19 (0.34) HRH3SLC6A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL2804693 0.88 ALDH1A1 (0.36) SLC6A4ALDH1A1
SCHEMBL2802823 0.88 SLC6A4 (0.35) HRH3SLC6A4
SCHEMBL2805222 0.86 CHEK1 (0.32) HRH3SLC6A4SMN1; SMN2
SCHEMBL2805043 0.86 CHRM3 (0.37) SLC6A4
SCHEMBL16351170 0.85 MEN1 (0.37) SLC6A4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2493182 0.85 SLC6A4 (0.42) HRH3SLC6A4SMYD2
SCHEMBL2802547 0.85 RAB9A (0.35) SLC6A4ALDH1A1SMN1; SMN2MEN1PKM
SCHEMBL2803313 0.84 SLC6A2 (0.31) SLC6A4

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 6 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-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 HRH3 1018/4885SLC6A4 564/4885KDM4E 679/4885

“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.