Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802550

SCHEMBL2802550

SCHEMBL2802550

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.42
▸ FGFR2 P21802 2/20 0.42
▸ KDM4E B2RXH2 6/20 0.39
▸ CYP2C19 P33261 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KPNA2 P52292 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CSF1R P07333 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ CYP2D6 P10635 4/20 0.37

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
SCHEMBL2803624 0.89 FGFR1 (0.42) FGFR1FGFR2KDM4ECYP2C19ALDH1A1
SCHEMBL2809268 0.89 FGFR1 (0.47) FGFR1FGFR2KDM4ECYP2C19ALDH1A1
SCHEMBL2804806 0.88 FGFR1 (0.46) FGFR1FGFR2KDM4ECYP2C19ALDH1A1
SCHEMBL2805659 0.87 FGFR1 (0.41) FGFR1FGFR2KDM4ECYP2C19ALDH1A1
SCHEMBL14644883 0.87 FGFR1 (0.41) FGFR1FGFR2KDM4ECYP2C19ALDH1A1
SCHEMBL2804060 0.86 FGFR1 (0.40) FGFR1FGFR2KDM4ECYP2C19ALDH1A1
SCHEMBL2802683 0.86 FGFR1 (0.40) FGFR1FGFR2KDM4ECYP2C19ALDH1A1
SCHEMBL2802852 0.86 FGFR1 (0.41) FGFR1FGFR2KDM4ECYP2C19ALDH1A1
SCHEMBL2806017 0.85 FGFR1 (0.39) FGFR1FGFR2KDM4ECYP2C19ALDH1A1
SCHEMBL14644886 0.85 FGFR1 (0.39) FGFR1FGFR2KDM4ECYP2C19ALDH1A1

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 FGFR1 530/4885FGFR2 511/4885KDM4E 679/4885

“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.