SCHEMBL10099306

SCHEMBL10099306

C[Si](C)(C)CCOCn1ccc2c(N[C@H]3CC[C@H](O)CC3)c(C=O)cnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
DGAT1 O75907 3/20 0.33
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
BRD4 O60885 2/20 0.32
MAPK7 Q13164 1/20 0.32
PDE5A O76074 4/20 0.32
PDE4B Q07343 5/20 0.31
GRM2 Q14416 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
PDE6A P16499 2/20 0.31
PDE4D Q08499 1/20 0.30
PDE11A Q9HCR9 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL14697439 0.91 PDE4B (0.35) MAPTDGAT1BRD4PDE4BCREBBP
SCHEMBL10099288 0.88 PDE5A (0.30) MAPTDGAT1PDE5AGRM2
SCHEMBL10099299 0.84 PRKCQ (0.38) JAK1JAK3
SCHEMBL10099181 0.84 JAK1 (0.42) JAK1JAK3
SCHEMBL10099302 0.83 JAK2 (0.34) MAPTDGAT1JAK1JAK3BRD4
SCHEMBL10099303 0.81 JAK2 (0.32) MAPTJAK1JAK3BRD4CREBBP
SCHEMBL21954829 0.81 DGAT1 (0.36) MAPTDGAT1BRD4PDE4BCREBBP
SCHEMBL566439 0.81 JAK1 (0.43) JAK1JAK3
SCHEMBL10099180 0.81 JAK2 (0.45) JAK1JAK3
SCHEMBL10099184 0.80 HTR6 (0.40) JAK1BRD4

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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 MAPT 3074/4885DGAT1 4419/4885JAK1 2/4885

“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.