SCHEMBL2805249

SCHEMBL2805249

CCCS(=O)(=O)Nc1ccc(C2Cc3cnc(NCCCN4CCCC4)nc3-c3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 8/20 0.39
FGFR2 P21802 3/20 0.39
BRD4 O60885 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
FGFR3 P22607 2/20 0.36
SRC P12931 2/20 0.36
EGFR P00533 1/20 0.36
FGFR4 P22455 1/20 0.36
CSF1R P07333 1/20 0.35
S100A4 P26447 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34

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
SCHEMBL2803845 0.97 FGFR1 (0.38) FGFR1FGFR2BRD4MALT1HRH3
SCHEMBL2802257 0.91 FGFR1 (0.43) FGFR1FGFR2MALT1FGFR3SRC
SCHEMBL2802698 0.89 FGFR1 (0.38) FGFR1FGFR2MALT1FGFR3SRC
SCHEMBL2802057 0.88 FGFR1 (0.48) FGFR1FGFR2BRD4MALT1SRC
SCHEMBL2802095 0.87 FGFR1 (0.40) FGFR1FGFR2MALT1HRH3SRC
SCHEMBL2804086 0.85 HTR6 (0.43) FGFR1FGFR2MALT1
SCHEMBL2807328 0.85 FGFR1 (0.43) FGFR1FGFR2MALT1HRH3FGFR3
SCHEMBL2804068 0.85 FGFR1 (0.43) FGFR1FGFR2MALT1SRCEGFR
SCHEMBL16360108 0.85 FGFR1 (0.47) FGFR1FGFR2FGFR3EGFRFGFR4
SCHEMBL2804168 0.85 FGFR1 (0.47) FGFR1FGFR2FGFR3SRCEGFR

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-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 530/4885FGFR2 511/4885BRD4 190/4885

“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.