SCHEMBL2805991

SCHEMBL2805991

c1ccc(CC2CCN(c3ncc4c(n3)-c3ccccc3C3(CCNCC3)C4)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GBA1 P04062 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 5/20 0.37
HSD17B10 Q99714 5/20 0.37
USP2 O75604 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2C9 P11712 4/20 0.37
CASP1 P29466 4/20 0.37
CYP2D6 P10635 3/20 0.37
CASP7 P55210 3/20 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
SCHEMBL2805709 0.87 CYP11B2 (0.37) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL2807816 0.83 ALDH1A1 (0.32) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2803020 0.81 HTR3A (0.38) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL2803911 0.80 HTR3A (0.35) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL2804073 0.78 LMNA (0.43) TSHRALDH1A1MAPTLMNAHTT
SCHEMBL2805621 0.78 ALDH1A1 (0.40) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL2804452 0.78 MTOR (0.34) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL2805444 0.77 ADRB2 (0.41) CYP3A4
SCHEMBL2805783 0.77 ALDH1A1 (0.36) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL2805183 0.77 SIGMAR1 (0.44) ALDH1A1KMT2ALMNAPOLBNPSR1

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 510/4885MAPT 1884/4885

“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.