SCHEMBL2808031

SCHEMBL2808031

CN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc2)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 10/20 0.48
HTR7 P34969 7/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR6 P50406 2/20 0.42
DRD3 P35462 1/20 0.42
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
NMT1 P30419 1/20 0.40
EGFR P00533 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR4 P22455 2/20 0.40
FGFR3 P22607 2/20 0.40
SRC P12931 1/20 0.40
POLB P06746 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
SCHEMBL2809092 0.92 FGFR1 (0.48) FGFR1NMT1EGFRFGFR2FGFR4
SCHEMBL2806163 0.91 FGFR1 (0.50) FGFR1HTR7HTR2AHTR6DRD2
SCHEMBL2808019 0.91 FGFR1 (0.53) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL2802908 0.91 FGFR1 (0.49) FGFR1NMT1EGFRFGFR2FGFR4
SCHEMBL2805669 0.87 FGFR1 (0.51) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL2806228 0.87 FGFR1 (0.44) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL2802057 0.86 FGFR1 (0.48) FGFR1FGFR2SRCPOLB
SCHEMBL2808981 0.86 FGFR1 (0.44) FGFR1HTR7HTR2AHTR6DRD2
SCHEMBL2802481 0.86 FGFR1 (0.44) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL2807328 0.85 FGFR1 (0.43) FGFR1HTR7HTR1AFGFR2FGFR3

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 FGFR1 530/4885HTR7 590/4885HTR1A 1174/4885

“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.