SCHEMBL2802086

SCHEMBL2802086

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.49
FGFR4 P22455 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
GRIN2B Q13224 2/20 0.44
EPHX2 P34913 1/20 0.43
LCK P06239 4/20 0.43
KDR P35968 2/20 0.43
JAK3 P52333 2/20 0.43
MAPK14 Q16539 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
BRAF P15056 1/20 0.42
TEK Q02763 1/20 0.42
CACNA1H O95180 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL2802088 1.00 NPY5R (0.49) NPY5RFGFR4TRPV1GRIN2BEPHX2
SCHEMBL2802118 0.91 NPY5R (0.49) NPY5RTRPV1LMNAMAPTHTT
SCHEMBL2802122 0.91 NPY5R (0.49) NPY5RTRPV1LMNAMAPTHTT
SCHEMBL2805082 0.89 ALDH1A1 (0.48) NPY5RSMN1; SMN2HSD17B10
SCHEMBL2805080 0.89 ALDH1A1 (0.48) NPY5RSMN1; SMN2HSD17B10
SCHEMBL2805381 0.88 ALDH1A1 (0.46) NPY5RMAPTSMN1; SMN2
SCHEMBL2805386 0.88 ALDH1A1 (0.46) NPY5RMAPTSMN1; SMN2
SCHEMBL2802649 0.88 NPY5R (0.43) NPY5RKDM4E
SCHEMBL2802647 0.88 NPY5R (0.43) NPY5RKDM4E
SCHEMBL2805636 0.88 NPY5R (0.47) NPY5RGRIN2BLMNAMAPTHTT

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 NPY5R 617/4885FGFR4 701/4885TRPV1 2378/4885

“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.