SCHEMBL3589645

SCHEMBL3589645

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 8/20 0.45
MAPK14 Q16539 1/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
MCL1 Q07820 1/20 0.42

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
SCHEMBL3590494 0.88 MAPK14 (0.45) YTHDC1MAPK14HDAC1HDAC2HDAC8
SCHEMBL3600409 0.84 MAPK14 (0.40) MAPK14HDAC1HDAC2HDAC8HDAC3
SCHEMBL4425564 0.74 MAPK14 (0.50) YTHDC1MAPK14HDAC1HDAC2HDAC8
SCHEMBL28726396 0.67 YTHDC1 (0.70) YTHDC1HDAC1HDAC2HDAC8HDAC3
SCHEMBL28726352 0.67 YTHDC1 (0.67) YTHDC1HDAC1HDAC2HDAC8HDAC3
SCHEMBL12786350 0.67 YTHDC1 (0.69) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL5461215 0.67 HDAC6 (0.60) YTHDC1HDAC1HDAC2HDAC8HDAC3
SCHEMBL30586354 0.67 YTHDC1 (0.65) YTHDC1HDAC1HDAC2HDAC8PDE4A
SCHEMBL26347131 0.66 HDAC6 (0.56) YTHDC1HDAC1HDAC2HDAC8HDAC3
SCHEMBL30898237 0.66 SLC29A1 (0.52) YTHDC1HDAC1HDAC2HDAC8HDAC3

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 YTHDC1 3259/4885MAPK14 1035/4885HDAC1 2776/4885

“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.