SCHEMBL2804422

SCHEMBL2804422

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)Nc3ccc(Cl)cc3)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.47
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
NAMPT P43490 1/20 0.41
EPHX2 P34913 1/20 0.41
FAAH O00519 1/20 0.41
KDR P35968 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2804420 1.00 NPY5R (0.47) NPY5RKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2802647 0.93 NPY5R (0.43) NPY5RKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2802649 0.93 NPY5R (0.43) NPY5RKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2802712 0.92 HDAC3 (0.47) NPY5RKDM4EALDH1A1GAATAS1R3
SCHEMBL2802715 0.92 HDAC3 (0.47) NPY5RKDM4EALDH1A1GAATAS1R3
SCHEMBL2805893 0.91 NPY5R (0.47) NPY5RKDM4ECYP1A2CYP3A4ALDH1A1
SCHEMBL2805890 0.91 NPY5R (0.47) NPY5RKDM4ECYP1A2CYP3A4ALDH1A1
SCHEMBL2805636 0.91 NPY5R (0.47) NPY5RKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2805633 0.91 NPY5R (0.47) NPY5RKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2805978 0.90 MAPT (0.46) NPY5RLMNAMAPK1

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 3 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
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 NPY5R 617/4885KDM4E 679/4885CYP1A2 612/4885

“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.