SCHEMBL3590494

SCHEMBL3590494

CC(C)(C)OC(=O)N(c1ccc(F)cc1)c1nc(NN)nc2c1ncn2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.45
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MCL1 Q07820 1/20 0.41
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
CTSL P07711 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL3589645 0.88 YTHDC1 (0.45) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL4425564 0.88 MAPK14 (0.50) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL3600409 0.81 MAPK14 (0.40) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL2060482 0.64 ADORA2A (0.57) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL7209489 0.63 ADORA2A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7204756 0.63 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6482024 0.62 MAPK14 (1.00) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL2060290 0.62 ADORA2A (0.65) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL183179 0.62 ADORA2A (0.62) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL7209250 0.61 ADORA2A (0.69) PDE4APDE4BPDE4CPDE4DHDAC1

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-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 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-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 MAPK14 1035/4885PDE4A 434/4885PDE4B 510/4885

“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.