SCHEMBL2803907

SCHEMBL2803907

c1ccc(C2Cc3cnc(NCCCN4CCCCC4)nc3-c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.53
FGFR2 P21802 1/20 0.53
HRH3 Q9Y5N1 8/20 0.43
MKNK1 Q9BUB5 1/20 0.42
SLC6A4 P31645 2/20 0.41
MALT1 Q9UDY8 1/20 0.40
S100A4 P26447 1/20 0.40
ACP1 P24666 2/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL2804612 1.00 FGFR1 (0.53) FGFR1FGFR2HRH3MKNK1SLC6A4
SCHEMBL2802954 0.99 FGFR1 (0.54) FGFR1FGFR2HRH3MKNK1SLC6A4
SCHEMBL2804746 0.94 FGFR1 (0.55) FGFR1FGFR2HRH3SLC6A4ACP1
SCHEMBL2492669 0.93 FGFR1 (0.44) FGFR1FGFR2HRH3MKNK1SLC6A4
SCHEMBL2806396 0.92 FGFR1 (0.53) FGFR1FGFR2
SCHEMBL2803937 0.92 FGFR1 (0.45) FGFR1FGFR2HRH3MKNK1SLC6A4
SCHEMBL2489256 0.92 FGFR1 (0.50) FGFR1FGFR2HRH3MKNK1MALT1
SCHEMBL2806559 0.92 FGFR1 (0.45) FGFR1FGFR2HRH3MKNK1SLC6A4
SCHEMBL2805303 0.90 FGFR1 (0.51) FGFR1FGFR2HRH3SLC6A4ACP1
SCHEMBL2803035 0.88 SLC6A4 (0.44) FGFR1FGFR2HRH3SLC6A4ACP1

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
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
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 511/4885HRH3 1018/4885

“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.