SCHEMBL10099418

SCHEMBL10099418

C[C@@H]1[C@H](n2ccc3cnc4[nH]ccc4c32)CCCN1C(=O)CC#N

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.71
JAK2 O60674 16/20 0.71
JAK1 P23458 13/20 0.71
TYK2 P29597 5/20 0.53
MAP3K19 Q56UN5 1/20 0.46
BMP2K Q9NSY1 1/20 0.46

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
SCHEMBL566711 0.83 JAK3 (1.00) JAK3JAK2JAK1TYK2BMP2K
SCHEMBL30398563 0.83 JAK3 (1.00) JAK3JAK2JAK1TYK2BMP2K
SCHEMBL566570 0.83 JAK3 (1.00) JAK3JAK2JAK1TYK2BMP2K
SCHEMBL10099377 0.82 JAK3 (0.66) JAK3JAK2JAK1TYK2
SCHEMBL10099373 0.81 JAK3 (0.75) JAK3JAK2JAK1TYK2MAP3K19
SCHEMBL10099374 0.81 JAK3 (0.70) JAK3JAK2JAK1TYK2MAP3K19
SCHEMBL10099401 0.81 JAK1 (0.74) JAK3JAK2JAK1TYK2
SCHEMBL566719 0.79 JAK2 (0.77) JAK3JAK2JAK1TYK2MAP3K19
SCHEMBL10099432 0.77 JAK3 (0.84) JAK3JAK2JAK1TYK2BMP2K
SCHEMBL566901 0.76 JAK2 (0.80) JAK3JAK2JAK1TYK2BMP2K

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 JAK3 3/4885JAK2 1/4885JAK1 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.