SCHEMBL21187333

SCHEMBL21187333

Cc1nccc(N[C@H]2CC[C@@H](Oc3cc(N4CCOCC4)cc4nc(C)ncc34)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.39
PDE10A Q9Y233 3/20 0.38
TBK1 Q9UHD2 6/20 0.38
IKBKE Q14164 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
TTK P33981 1/20 0.37
EHMT2 Q96KQ7 4/20 0.37
EHMT1 Q9H9B1 4/20 0.37
GPR6 P46095 1/20 0.36
SYK P43405 1/20 0.36
CHEK1 O14757 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL28471538 1.00 PIK3C3 (0.39) PIK3C3PDE10ATBK1IKBKEJAK2
SCHEMBL30823279 1.00 PIK3C3 (0.39) PIK3C3PDE10ATBK1IKBKEJAK2
SCHEMBL22635848 0.91 IRAK4 (0.38) PIK3C3PDE10ATBK1IKBKEJAK2
SCHEMBL21187357 0.91 IRAK4 (0.38) PIK3C3PDE10ATBK1IKBKEJAK2
SCHEMBL21187365 0.87 PIK3C3 (0.38) PIK3C3PDE10ATBK1IKBKEJAK2
SCHEMBL30823273 0.87 PIK3C3 (0.38) PIK3C3PDE10ATBK1IKBKEJAK2
SCHEMBL21177873 0.87 PIK3C3 (0.38) PIK3C3PDE10ATBK1IKBKEJAK2
SCHEMBL16091613 0.87 PDE10A (0.38) PIK3C3PDE10ATBK1IKBKEJAK2
SCHEMBL21279021 0.87 PDE10A (0.38) PIK3C3PDE10ATBK1IKBKEJAK2
SCHEMBL17750560 0.86 PDE10A (0.38) PIK3C3PDE10ATBK1IKBKEJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US disclosed
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 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-20200353101-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PIK3C3 1839/4885PDE10A 1271/4885TBK1 475/4885

“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.