SCHEMBL2804009

SCHEMBL2804009

CN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NCc4cccc(F)c4)cc2)C3)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.45
NTRK1 P04629 6/20 0.43
FGFR1 P11362 9/20 0.42
FGFR2 P21802 4/20 0.42
FGFR3 P22607 3/20 0.42
CSF1R P07333 1/20 0.42
NTRK3 Q16288 2/20 0.41
NTRK2 Q16620 2/20 0.41
EGFR P00533 2/20 0.40
FGFR4 P22455 2/20 0.40
SRC P12931 1/20 0.40
MAPK8 P45983 1/20 0.39

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
SCHEMBL2804956 0.92 HRH1 (0.43) FGFR1FGFR2FGFR3CSF1REGFR
SCHEMBL2805916 0.92 FGFR1 (0.41) FGFR1FGFR2FGFR3CSF1REGFR
SCHEMBL2803176 0.90 FGFR1 (0.50) CCNT1NTRK1FGFR1FGFR2FGFR3
SCHEMBL2804790 0.88 FGFR1 (0.41) FGFR1FGFR2FGFR3CSF1REGFR
SCHEMBL2803904 0.88 FGFR1 (0.40) FGFR1FGFR2FGFR3CSF1REGFR
SCHEMBL2809160 0.88 FGFR1 (0.42) FGFR1FGFR2FGFR3CSF1REGFR
SCHEMBL2805061 0.88 FGFR1 (0.45) FGFR1FGFR2FGFR3CSF1REGFR
SCHEMBL2803188 0.88 FGFR1 (0.44) FGFR1FGFR2FGFR3CSF1REGFR
SCHEMBL2803060 0.88 FGFR1 (0.42) FGFR1FGFR2FGFR3CSF1REGFR
SCHEMBL2807786 0.88 FGFR1 (0.47) FGFR1FGFR2FGFR3EGFRFGFR4

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 CCNT1 224/4885NTRK1 3713/4885FGFR1 530/4885

“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.