Sugi Predict

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SCHEMBL2808250

SCHEMBL2808250

Cc1cccc(COC(=O)Nc2ncc3c(c2C#N)-c2ccccc2C(c2ccc(Cl)c(Cl)c2)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ PGGT1B P53609 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ CTSB P07858 1/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ SLC6A4 P31645 1/20 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
SCHEMBL2803831 0.93 LMNA (0.33) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL16351170 0.93 MEN1 (0.37) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2802828 0.90 ALDH1A1 (0.34) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2808228 0.89 GPBAR1 (0.34) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2805434 0.89 TDO2 (0.33) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2808570 0.88 FPR2 (0.33) MEN1KMT2ALMNAMAPTHTT
SCHEMBL2801866 0.88 SMN1; SMN2 (0.35) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2804693 0.87 ALDH1A1 (0.36) ALDH1A1LMNASLC6A3SLC6A4
SCHEMBL13273730 0.86 MEN1 (0.34) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2806246 0.86 CYP1A2 (0.39) GPBAR1FNTAFNTBPGGT1BMAPK8

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 MEN1 2137/4885KMT2A 662/4885ALDH1A1 510/4885

“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.