SCHEMBL16283149

SCHEMBL16283149

Cc1cn(-c2ccc(NC(=O)c3ccc(N)c(I)c3)c(N)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.44
LDLR P01130 2/20 0.42
PCSK9 Q8NBP7 2/20 0.42
NR2E1 Q9Y466 2/20 0.41
EPHB2 P29323 1/20 0.41
ABL1 P00519 2/20 0.41
BCR P11274 1/20 0.41
RAF1 P04049 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
KIT P10721 3/20 0.39
DDR2 Q16832 2/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 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
SCHEMBL15442438 0.93 EPHB2 (0.45) MAPK13LDLRPCSK9NR2E1EPHB2
SCHEMBL20144342 0.88 EPHB2 (0.46) MAPK13LDLRPCSK9NR2E1EPHB2
SCHEMBL1824198 0.74 NR2E1 (0.43) MAPK13NR2E1PDE4APDE4BPDE4C
SCHEMBL15442444 0.72 NR2E1 (0.49) MAPK13NR2E1PDE4APDE4BPDE4C
SCHEMBL30217888 0.70 IP6K1 (0.49) NR2E1PDE4APDE4BPDE4CPDE4D
SCHEMBL9701793 0.68 NR2E1 (0.48) NR2E1PDE4APDE4BPDE4CPDE4D
SCHEMBL3343040 0.68 NR2E1 (0.48) NR2E1PDE4APDE4BPDE4CPDE4D
SCHEMBL589522 0.68 NR2E1 (0.73) LDLRPCSK9NR2E1EPHB2ABL1
SCHEMBL29493483 0.68 NR2E1 (0.73) LDLRPCSK9NR2E1EPHB2ABL1
SCHEMBL3712352 0.67 PDE4A (0.58) LDLRPCSK9NR2E1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174996-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2015-11-03 US disclosed
US-9174996-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2015-11-03 US disclosed
US-20140364436-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-12-11 US disclosed
US-20140364436-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-12-11 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-20140364436-A1 Protein Kinase Inhibitors MAP3K9, MAP3K6, MAP3K8 MAPK13 92/4885LDLR 2760/4885PCSK9 710/4885

“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.