SCHEMBL2805405

SCHEMBL2805405

CNc1ncc2c(n1)-c1ccccc1C1(CCN(S(=O)(=O)Cc3ccccc3)CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
NEK2 P51955 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.37
NAMPT P43490 1/20 0.36
HTT P42858 1/20 0.36
PIK3CA P42336 1/20 0.36
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL2802631 0.86 TSHR (0.43) TSHRHPGDNEK2KMT2AALDH1A1
SCHEMBL2805415 0.84 SIGMAR1 (0.46) TSHRKMT2AALDH1A1CYP2C19
SCHEMBL2808109 0.82 SIGMAR1 (0.51)
SCHEMBL2803929 0.82 FGFR4 (0.39) HPGDALDH1A1NPSR1GAAHTT
SCHEMBL2805032 0.82 MEN1 (0.41) TSHRKMT2AALDH1A1GAANAMPT
SCHEMBL2804747 0.82 HDAC1 (0.44) PIK3CA
SCHEMBL2802795 0.82 OXTR (0.44) ALDH1A1MAPTGAAHTTCYP2C19
SCHEMBL2802181 0.81 KMT2A (0.36) KMT2AALDH1A1GAA
SCHEMBL2804198 0.81 PKM (0.40) HPGDNEK2KMT2AALDH1A1GAA
SCHEMBL2806646 0.81 HDAC3 (0.43) TSHRNEK2KMT2AALDH1A1MAPT

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-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

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 4709/4885HPGD 160/4885NEK2 349/4885

“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.