SCHEMBL2804702

SCHEMBL2804702

CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C4Cc5cnc(NCCCN6CCCC6)nc5-c5ccccc54)cc3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.43
HTR1A P08908 4/20 0.42
EDNRA P25101 9/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 1/20 0.39

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
SCHEMBL2804086 0.91 HTR6 (0.43) HTR6
SCHEMBL2802095 0.88 FGFR1 (0.40)
SCHEMBL2803847 0.85 FGFR1 (0.43)
SCHEMBL2802057 0.85 FGFR1 (0.48) TSHR
SCHEMBL2802257 0.85 FGFR1 (0.43)
SCHEMBL2806228 0.84 FGFR1 (0.44)
SCHEMBL2802481 0.83 FGFR1 (0.44)
SCHEMBL2805249 0.83 FGFR1 (0.39)
SCHEMBL2807328 0.82 FGFR1 (0.43) HTR1A
SCHEMBL2804068 0.82 FGFR1 (0.43)

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 HTR6 18/4885HTR1A 1174/4885EDNRA 1007/4885

“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.