SCHEMBL2804086

SCHEMBL2804086

O=S(=O)(Nc1ccc(C2Cc3cnc(NCCCN4CCCC4)nc3-c3ccccc32)cc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.43
FGFR1 P11362 3/20 0.38
HTR7 P34969 2/20 0.38
FGFR2 P21802 1/20 0.37
SLC6A9 P48067 2/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
CCR1 P32246 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
NPY5R Q15761 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
SCHEMBL2802095 0.91 FGFR1 (0.40) FGFR1FGFR2MALT1
SCHEMBL2804702 0.91 HTR6 (0.43) HTR6
SCHEMBL2802057 0.89 FGFR1 (0.48) FGFR1FGFR2MALT1
SCHEMBL2802257 0.88 FGFR1 (0.43) FGFR1FGFR2MALT1
SCHEMBL2803847 0.87 FGFR1 (0.43) FGFR1FGFR2
SCHEMBL2806228 0.87 FGFR1 (0.44) FGFR1FGFR2
SCHEMBL2807328 0.87 FGFR1 (0.43) FGFR1HTR7FGFR2MALT1
SCHEMBL2804068 0.87 FGFR1 (0.43) FGFR1FGFR2MALT1
SCHEMBL2804168 0.86 FGFR1 (0.47) FGFR1FGFR2
SCHEMBL2802481 0.86 FGFR1 (0.44) FGFR1FGFR2

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 18/4885FGFR1 530/4885HTR7 590/4885

“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.