Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803443

SCHEMBL2803443

SCHEMBL2803443

CNc1ncc2c(n1)-c1ccccc1C1(CCN(S(=O)(=O)c3cccc(OC)c3)CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ FGFR4 P22455 5/20 0.41
▸ PKM P14618 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ PKLR P30613 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ GBA1 P04062 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ NR3C1 P04150 1/20 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
SCHEMBL2804994 0.91 PKM (0.42) PKMKDRPKLRIKBKBALDH1A1
SCHEMBL2807741 0.90 ALDH1A1 (0.41) TSHRMAPK1ATMPIK3CAMTOR
SCHEMBL2802631 0.89 TSHR (0.43) TSHRMAPK1L3MBTL1HDAC1ALDH1A1
SCHEMBL2802952 0.89 L3MBTL1 (0.48) TSHRLMNAMAPK1KDRL3MBTL1
SCHEMBL2802672 0.89 MEN1 (0.43) LMNAMAPK1JAK2JAK1PIK3CA
SCHEMBL2805749 0.89 HDAC3 (0.46) TSHRLMNAFGFR4PKMPKLR
SCHEMBL2806545 0.89 PKM (0.43) TSHRLMNAPKMHDAC1ALDH1A1
SCHEMBL2804618 0.87 SMN1; SMN2 (0.41) TSHRLMNAHDAC1IKBKBALDH1A1
SCHEMBL2807424 0.86 L3MBTL1 (0.43) PKMPKLRL3MBTL1GBA1KDM4E
SCHEMBL2805582 0.86 CCNT1 (0.41) MAPK1JAK2JAK1IKBKBGBA1

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 TSHR 4709/4885LMNA 1658/4885MAPK1 2878/4885

“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.