SCHEMBL2804113

SCHEMBL2804113

Clc1ccccc1C1Cc2cnc(NCCCN3CCCC3)nc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 18/20 0.46
EGFR P00533 5/20 0.45
SRC P12931 4/20 0.45
FGFR2 P21802 4/20 0.45
FGFR4 P22455 4/20 0.45
FGFR3 P22607 4/20 0.45
HRH3 Q9Y5N1 2/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL2807020 0.93 FGFR1 (0.54) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL2804075 0.92 FGFR1 (0.52) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL2803937 0.89 FGFR1 (0.45) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL2802954 0.88 FGFR1 (0.54) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL2803035 0.87 SLC6A4 (0.44) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL2806531 0.87 SLC6A4 (0.44) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL2803907 0.87 FGFR1 (0.53) FGFR1FGFR2HRH3SLC6A4
SCHEMBL2804612 0.87 FGFR1 (0.53) FGFR1FGFR2HRH3SLC6A4
SCHEMBL2802501 0.87 TYRO3 (0.47) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL17057491 0.86 FGFR1 (0.45) FGFR1EGFRSRCFGFR2FGFR4

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 8 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
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO 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 530/4885EGFR 1297/4885SRC 642/4885

“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.