SCHEMBL2804468

SCHEMBL2804468

O=C(Nc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2)OCCN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
SLC6A4 P31645 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HTR2C P28335 5/20 0.43
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL13273483 0.95 HRH3 (0.48) BRAFSLC6A4HRH3HTR2CFGFR1
SCHEMBL2802002 0.95 HRH3 (0.48) BRAFSLC6A4HRH3HTR2CFGFR1
SCHEMBL14644893 0.92 EGFR (0.39) BRAFFGFR1FGFR2SIGMAR1TSHR
SCHEMBL2806199 0.92 EGFR (0.39) BRAFFGFR1FGFR2SIGMAR1TSHR
SCHEMBL2803624 0.88 FGFR1 (0.42) SLC6A4FGFR1FGFR2CYP1A2CYP2D6
SCHEMBL2804806 0.88 FGFR1 (0.46) SLC6A4FGFR1FGFR2CYP1A2CYP2D6
SCHEMBL14644888 0.88 MET (0.42) SLC6A4HRH3FGFR1FGFR2POLB
SCHEMBL13273846 0.88 MET (0.42) SLC6A4HRH3FGFR1FGFR2POLB
SCHEMBL2805659 0.86 FGFR1 (0.41) SLC6A4FGFR1FGFR2CYP1A2CYP2D6
SCHEMBL2803028 0.86 FGFR1 (0.41) SLC6A4FGFR1FGFR2CYP1A2CYP2D6

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 BRAF 241/4885SLC6A4 564/4885HRH3 1018/4885

“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.