SCHEMBL2802691

SCHEMBL2802691

COc1ccc(NC(=O)Nc2ccc(C3Cc4cnc(NCCCN5CCN(C)CC5)nc4-c4ccccc43)cc2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 13/20 0.54
FGFR2 P21802 3/20 0.54
FGFR4 P22455 3/20 0.54
FGFR3 P22607 3/20 0.54
EGFR P00533 2/20 0.54
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
NTRK1 P04629 2/20 0.43
NTRK2 Q16620 2/20 0.43
KDR P35968 3/20 0.43
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
TSHR P16473 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL16360415 0.94 FGFR1 (0.51) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2802880 0.92 FGFR1 (0.58) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2806783 0.91 FGFR1 (0.48) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2805479 0.90 FGFR1 (0.50) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2804892 0.90 FGFR1 (0.49) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2805974 0.89 FGFR1 (0.49) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2805669 0.88 FGFR1 (0.51) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2806260 0.88 FGFR1 (0.47) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2806108 0.88 FGFR1 (0.51) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL2806571 0.87 FGFR1 (0.48) FGFR1FGFR2FGFR4FGFR3EGFR

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 5 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

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 511/4885FGFR4 701/4885

“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.