SCHEMBL2803187

SCHEMBL2803187

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)Nc3ccc(OC)c(OC)c3)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
PLK1 P53350 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPY5R Q15761 3/20 0.44
KDR P35968 3/20 0.44
NAMPT P43490 1/20 0.42
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
INSR P06213 1/20 0.40
PTK2 Q05397 1/20 0.40
AURKB Q96GD4 1/20 0.40
PDPK1 O15530 1/20 0.40
ROS1 P08922 1/20 0.40
ALK Q9UM73 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 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
SCHEMBL13273706 1.00 L3MBTL1 (0.47) L3MBTL1PLK1SMN1; SMN2NPY5RKDR
SCHEMBL2803860 0.89 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2NPY5RKDRTSHR
SCHEMBL2803858 0.89 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2NPY5RKDRTSHR
SCHEMBL13273931 0.89 NPY5R (0.49) SMN1; SMN2NPY5RTSHRMAPT
SCHEMBL13273848 0.88 NPY5R (0.44) SMN1; SMN2NPY5RNPSR1
SCHEMBL2805751 0.88 NPY5R (0.44) SMN1; SMN2NPY5RNPSR1
SCHEMBL2802647 0.87 NPY5R (0.43) NPY5RTSHR
SCHEMBL2802649 0.87 NPY5R (0.43) NPY5RTSHR
SCHEMBL2804119 0.87 LRRK2 (0.45) PLK1TSHR
SCHEMBL2802712 0.86 HDAC3 (0.47) SMN1; SMN2NPY5RKDRNAMPTMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 3477/4885PLK1 83/4885SMN1; SMN2 1444/4885

“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.