Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802631

SCHEMBL2802631

SCHEMBL2802631

CNc1ncc2c(n1)-c1ccccc1C1(CCN(S(=O)(=O)c3ccccc3)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ CCNA2 P20248 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CCNA1 P78396 3/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ USP2 O75604 3/20 0.38

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
SCHEMBL2802795 0.93 OXTR (0.44) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2806646 0.92 HDAC3 (0.43) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL2804198 0.92 PKM (0.40) ALDH1A1KMT2AMEN1HDAC3HDAC1
SCHEMBL2804618 0.92 SMN1; SMN2 (0.41) TSHRALDH1A1KMT2AMEN1HDAC3
SCHEMBL2804994 0.91 PKM (0.42) ALDH1A1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL2807741 0.91 ALDH1A1 (0.41) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL2808988 0.90 GAA (0.41) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL2808986 0.90 GAA (0.41) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL2806488 0.90 HDAC3 (0.46) ALDH1A1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL2802672 0.90 MEN1 (0.43) ALDH1A1KMT2AMEN1MAPK1CCNA2

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 4709/4885ALDH1A1 510/4885KMT2A 662/4885

“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.