SCHEMBL12290264

SCHEMBL12290264

Nc1cnc(NCCc2cccs2)nc1NC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.54
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
IGF1R P08069 1/20 0.50
TYRO3 Q06418 9/20 0.49
MERTK Q12866 9/20 0.49
FLT3 P36888 7/20 0.49
GAS6 Q14393 6/20 0.49
ULK1 O75385 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
AXL P30530 4/20 0.42
PLK1 P53350 1/20 0.42
STAT6 P42226 1/20 0.41
SYK P43405 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
SCHEMBL12825848 0.93 IGF1R (0.49) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL8234173 0.77 FLT3 (0.49) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL18293823 0.74 PRKCQ (0.48) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL16842132 0.73 PRKCQ (0.57) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL14869658 0.70 HTR6 (0.62) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL14391028 0.70 TYRO3 (0.54) IGF1RTYRO3MERTKFLT3GAS6
SCHEMBL15256329 0.70 IGF1R (0.54) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4376091 0.69 ADORA1 (0.49) IGF1RFLT3ADORA3ADORA2AADORA2B
SCHEMBL6644966 0.68 ALDH1A1 (0.52) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1801288 0.68 ADORA3 (0.54) CHRM3PDE4APDE4BPDE4CPDE4D

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
US-20110230480-A1 8-HETEROARYLPURINE MNK2 INHIBITORS FOR TREATING METABOLIC DISORDERS COLE ANDREW G 2011-09-22 US disclosed
US-20110230480-A1 8-HETEROARYLPURINE MNK2 INHIBITORS FOR TREATING METABOLIC DISORDERS COLE ANDREW G 2011-09-22 US disclosed
US-7951803-B2 8-heteroarylpurine MNK2 inhibitors for treating metabolic disorders PHARMACOPEIA, LLC (US) 2011-05-31 US disclosed
US-7951803-B2 8-heteroarylpurine MNK2 inhibitors for treating metabolic disorders PHARMACOPEIA, LLC (US) 2011-05-31 US disclosed
US-20080032971-A1 8-HETEROARYLPURINE MNK2 INHIBITORS FOR TREATING METABOLIC DISORDERS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-02-07 US disclosed
US-20080032971-A1 8-HETEROARYLPURINE MNK2 INHIBITORS FOR TREATING METABOLIC DISORDERS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-02-07 US disclosed
WO-2007104053-A2 8-HETEROARYLPURINE MNK2 INHIBITORS FOR TREATING METABOLIC DISORDERS PHARMACOPEIA, INC. (US) 2007-09-13 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 (2 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-20110230480-A1 8-HETEROARYLPURINE MNK2 INHIBITORS FOR TREATING METABOLIC DISORDERS PCK2, UCK2, PANK2 CHRM3 4338/4885PDE4A 2846/4885PDE4B 2447/4885
US-20080032971-A1 8-HETEROARYLPURINE MNK2 INHIBITORS FOR TREATING METABOLIC DISORDERS PCK2, UCK2, PANK2 CHRM3 4338/4885PDE4A 2846/4885PDE4B 2447/4885

“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.