SCHEMBL2806199

SCHEMBL2806199

O=C(Nc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2)OCCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
IGF1R P08069 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
WEE1 P30291 1/20 0.38
PLK1 P53350 1/20 0.38
JAK3 P52333 2/20 0.37
BTK Q06187 2/20 0.37
AURKB Q96GD4 1/20 0.37
MET P08581 1/20 0.37
BRAF P15056 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL14644893 1.00 EGFR (0.39) EGFRFGFR1FGFR2IGF1RKDM4E
SCHEMBL14644888 0.95 MET (0.42) EGFRFGFR1FGFR2IGF1RJAK3
SCHEMBL13273846 0.95 MET (0.42) EGFRFGFR1FGFR2IGF1RJAK3
SCHEMBL2804468 0.92 BRAF (0.44) FGFR1FGFR2KDM4EBRAFTSHR
SCHEMBL16359862 0.89 FGFR1 (0.39) FGFR1FGFR2IGF1RKDM4EALDH1A1
SCHEMBL2802002 0.88 HRH3 (0.48) FGFR1FGFR2IGF1RKDM4EALDH1A1
SCHEMBL13273483 0.88 HRH3 (0.48) FGFR1FGFR2IGF1RKDM4EALDH1A1
SCHEMBL2803624 0.87 FGFR1 (0.42) FGFR1FGFR2KDM4EALDH1A1
SCHEMBL2804806 0.86 FGFR1 (0.46) FGFR1FGFR2IGF1RKDM4EALDH1A1
SCHEMBL2803028 0.85 FGFR1 (0.41) FGFR1FGFR2KDM4EALDH1A1

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 7 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
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 EGFR 1297/4885FGFR1 530/4885FGFR2 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.