Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802828

SCHEMBL2802828

SCHEMBL2802828

N#Cc1c(NC(=O)OCc2ccc(Cl)cc2)ncc2c1-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SCD O00767 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SLC6A2 P23975 4/20 0.32

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
SCHEMBL16351170 0.95 MEN1 (0.37) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL2803831 0.94 LMNA (0.33) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL2805434 0.93 TDO2 (0.33) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL13273730 0.92 MEN1 (0.34) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL2801866 0.92 SMN1; SMN2 (0.35) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL2808228 0.92 GPBAR1 (0.34) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL2808250 0.90 MEN1 (0.39) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL2808570 0.88 FPR2 (0.33) MEN1LMNAMAPTHTTKMT2A
SCHEMBL2804693 0.88 ALDH1A1 (0.36) ALDH1A1LMNACYP2C19SLC6A2SLC6A4
SCHEMBL2805043 0.87 CHRM3 (0.37) CYP2C19SLC6A2SLC6A4SLC6A3

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 6 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-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 ALDH1A1 510/4885MEN1 2137/4885LMNA 1658/4885

“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.