SCHEMBL10099302

SCHEMBL10099302

C[C@@H]1CCCC[C@@H]1Nc1c(C=O)cnc2c1ccn2COCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CD38 P28907 2/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL10099287 0.89 JAK2 (0.31) JAK2JAK1JAK3BRD4CREBBP
SCHEMBL14697439 0.88 PDE4B (0.35) MAPTBRD4CREBBPDGAT1
SCHEMBL2105089 0.86 JAK3 (0.42) JAK2JAK1JAK3MAPTDGAT1
SCHEMBL10099305 0.85 JAK2 (0.34) JAK2JAK1JAK3MAPTBRD4
SCHEMBL566955 0.83 SCN9A (0.38) JAK2JAK1JAK3
SCHEMBL2105789 0.83 PDE4B (0.46) JAK2JAK1JAK3
SCHEMBL10099306 0.83 MAPT (0.35) JAK1JAK3MAPTBRD4CREBBP
SCHEMBL10099303 0.81 JAK2 (0.32) JAK2JAK1JAK3MAPTBRD4
SCHEMBL10099185 0.80 TSHR (0.37) DGAT1
SCHEMBL10099184 0.78 HTR6 (0.40) JAK2JAK1BRD4

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 JAK2 1/4885JAK1 2/4885JAK3 3/4885

“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.