SCHEMBL2807424

SCHEMBL2807424

CNc1ncc2c(n1)-c1ccccc1C1(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD11B1 P28845 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GBA1 P04062 1/20 0.39
CACNA1B Q00975 2/20 0.39
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
CNR1 P21554 1/20 0.39
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 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
SCHEMBL2806488 0.91 HDAC3 (0.46) L3MBTL1KDM4EHSD11B1GBA1PKM
SCHEMBL2805749 0.89 HDAC3 (0.46) CYP2C19SMN1; SMN2PKMPKLRKMT2A
SCHEMBL2802631 0.88 TSHR (0.43) L3MBTL1CYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL2802672 0.87 MEN1 (0.43) HTTKDM4EHSD11B1CYP1A2CYP2C19
SCHEMBL2803443 0.86 TSHR (0.41) L3MBTL1KDM4EGBA1PKMPKLR
SCHEMBL2806545 0.85 PKM (0.43) HTTSMN1; SMN2PKMKMT2A
SCHEMBL2805582 0.85 CCNT1 (0.41) CYP1A2SMN1; SMN2GBA1KMT2A
SCHEMBL2805583 0.85 CCNT1 (0.41) CYP1A2SMN1; SMN2GBA1KMT2A
SCHEMBL2806016 0.84 MEN1 (0.40) HSD11B1SMN1; SMN2KMT2A
SCHEMBL2804198 0.84 PKM (0.40) HTTKDM4ECYP1A2SMN1; SMN2PKM

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 L3MBTL1 3477/4885HTT 957/4885KDM4E 679/4885

“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.