SCHEMBL12904005

SCHEMBL12904005

COc1ccc(CN2C(=O)C(C)(C)Oc3cccnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.48
CMA1 P23946 1/20 0.46
MAPT P10636 3/20 0.45
APP P05067 2/20 0.45
SNCA P37840 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
PRTN3 P24158 1/20 0.44
BRD4 O60885 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CASP3 P42574 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HKDC1 Q2TB90 1/20 0.42
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30047638 0.78 L3MBTL1 (0.67) CMA1MAPTAPPSNCAL3MBTL1
SCHEMBL15790780 0.73 HDAC6 (0.48) HDAC6ELANECTSGPRTN3BRD4
SCHEMBL26619234 0.72 OPRL1 (0.46) CMA1MAPTAPPSNCABRD4
SCHEMBL30637917 0.72 OPRL1 (0.46) CMA1MAPTAPPSNCABRD4
SCHEMBL18398323 0.70 CMA1 (0.44) CMA1MAPTL3MBTL1ELANECTSG
SCHEMBL30683654 0.70 OPRL1 (0.49) CMA1MAPTAPPSNCABRD4
SCHEMBL30683655 0.70 OPRL1 (0.49) CMA1MAPTAPPSNCABRD4
SCHEMBL8300871 0.70 BRD4 (0.64) CMA1MAPTAPPSNCABRD4
SCHEMBL8299610 0.70 MAPT (0.52) CMA1MAPTAPPSNCABRD4
SCHEMBL18398363 0.70 CHRM5 (0.42) CMA1MAPTL3MBTL1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015155-A1 Deuterated 2, 4-Pyrimidinediamine Compounds and Prodrugs Thereof and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-01-20 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-20110015155-A1 Deuterated 2, 4-Pyrimidinediamine Compounds and Prodrugs Thereof and Their Uses DPYD, DUT, TYMP HDAC6 2903/4885CMA1 3974/4885MAPT 4324/4885

“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.