SCHEMBL20705128

SCHEMBL20705128

COc1cc(-c2ccc(O)cc2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.47
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ESR2 Q92731 2/20 0.43
ESR1 P03372 1/20 0.43
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43

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
SCHEMBL9505812 0.81 NPC1 (0.66) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL29431722 0.81 HSD17B1 (0.55) PDK1PDK2PDK3PDK4NPC1
SCHEMBL19933676 0.80 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22797722 0.80 PDK1 (0.42) PDK1PDK2PDK3PDK4NPC1
SCHEMBL29431818 0.77 CYP1B1 (0.42) PDK1PDK2PDK3PDK4NPC1
SCHEMBL22313789 0.77 PDK1 (0.42) PDK1PDK2PDK3PDK4NPC1
SCHEMBL22214032 0.77 TRPA1 (0.44) PDK1PDK2PDK3PDK4NPC1
SCHEMBL29431742 0.76 KDM1A (0.40) PDK1PDK2PDK3PDK4NPC1
SCHEMBL21359289 0.76 NPC1 (0.40) PDK1PDK2PDK3PDK4NPC1
SCHEMBL27871810 0.76 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MAPTMEN1

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
EP-3773552-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-02-17 EP claimed
WO-2019191229-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-10-03 WO claimed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230069804-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2023-03-02 US disclosed
EP-3661509-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING Skyhawk Therapeutics, Inc. (US) 2020-06-10 EP disclosed
WO-2019028440-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2019-02-07 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 (3 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-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 PDK1 1233/4885PDK2 706/4885PDK3 1402/4885
US-11780839-B2 Compounds for treating Huntington's disease HTT, HYPK, HDAC6 PDK1 1233/4885PDK2 706/4885PDK3 1402/4885
US-20230069804-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING RBM17, SF3B1, SF3B5 PDK1 1488/4885PDK2 2557/4885PDK3 2508/4885

“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.