SCHEMBL17705704

SCHEMBL17705704

CC(C)c1nnc(C(C)C)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
NPC1 O15118 2/20 0.47
IDO1 P14902 2/20 0.40
HTT P42858 3/20 0.39
CCR1 P32246 3/20 0.39
CCR8 P51685 3/20 0.39
PSMD14 O00487 3/20 0.39
COPS5 Q92905 3/20 0.39
SLC6A2 P23975 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 5/20 0.37
HIF1A Q16665 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL18558987 0.87 NPC1 (0.37) HSP90AA1L3MBTL1NPC1IDO1HTT
SCHEMBL26433550 0.85 KDM4E (0.42) HSP90AA1L3MBTL1NPC1IDO1HTT
SCHEMBL18559161 0.81 L3MBTL1 (0.42) HSP90AA1L3MBTL1NPC1IDO1HTT
SCHEMBL26866930 0.78 L3MBTL1 (0.45) HSP90AA1L3MBTL1NPC1IDO1HTT
SCHEMBL13171259 0.77 L3MBTL1 (0.44) HSP90AA1L3MBTL1NPC1IDO1HTT
SCHEMBL19860969 0.76 CCR1 (0.47) HSP90AA1L3MBTL1NPC1IDO1HTT
SCHEMBL22035506 0.76 HSP90AA1 (0.42) HSP90AA1L3MBTL1NPC1IDO1HTT
SCHEMBL17705706 0.75 CCNB2 (0.31)
SCHEMBL14431324 0.75 GPR84 (0.41) SLC6A2SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL19718851 0.74 LMNA (0.49) HSP90AA1L3MBTL1NPC1IDO1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 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-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS SMO, SHH, GLI1 HSP90AA1 4431/4885L3MBTL1 3762/4885NPC1 1290/4885

“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.