Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803929

SCHEMBL2803929

SCHEMBL2803929

CNc1ncc2c(n1)-c1ccccc1C1(CCN(S(=O)(=O)c3ccccc3Cl)CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.39
▸ KDR P35968 2/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ LIPE Q05469 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ CHRM4 P08173 3/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ FAAH O00519 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2804747 0.91 HDAC1 (0.44) KDRPLK1CCR1HDAC3HDAC1
SCHEMBL2802181 0.90 KMT2A (0.36) GAAMAPK1ALDH1A1
SCHEMBL2806646 0.88 HDAC3 (0.43) KDRMAPK1HTTNPSR1HDAC3
SCHEMBL2802631 0.87 TSHR (0.43) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2806016 0.86 MEN1 (0.40) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2802672 0.85 MEN1 (0.43) MAPK1HTTKDM4EALDH1A1HPGD
SCHEMBL2802795 0.85 OXTR (0.44) KDRGAAHTTHDAC3HDAC1
SCHEMBL2804198 0.84 PKM (0.40) GAAHTTHDAC3HDAC1HDAC2
SCHEMBL2804055 0.84 MEN1 (0.40) MAPK1HTTHDAC3HDAC1HDAC2
SCHEMBL2806545 0.83 PKM (0.43) HTTHDAC3HDAC1HDAC2HDAC6

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 FGFR4 701/4885KDR 1416/4885PLK1 83/4885

“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.