SCHEMBL2804075

SCHEMBL2804075

Clc1ccccc1C1Cc2cnc(NCCCN3CCOCC3)nc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 9/20 0.52
SRC P12931 6/20 0.52
FGFR2 P21802 2/20 0.52
FGFR4 P22455 2/20 0.52
FGFR3 P22607 2/20 0.52
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
EGFR P00533 4/20 0.43
CDK4 P11802 1/20 0.43
GSK3B P49841 1/20 0.43
AXL P30530 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43

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
SCHEMBL2804113 0.92 FGFR1 (0.46) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL2807020 0.91 FGFR1 (0.54) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL2804561 0.89 FGFR1 (0.47) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL2805303 0.89 FGFR1 (0.51) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL16349396 0.89 FGFR1 (0.49) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL17057491 0.84 FGFR1 (0.45) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL2802640 0.84 FGFR1 (0.43) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL2802501 0.82 TYRO3 (0.47) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL2806766 0.81 FGFR1 (0.41) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL2803937 0.81 FGFR1 (0.45) FGFR1SRCFGFR2FGFR4FGFR3

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 530/4885SRC 642/4885FGFR2 511/4885

“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.