SCHEMBL10099458

SCHEMBL10099458

C[C@@H]1CCN(C(=O)NCCc2cccs2)C[C@@H]1n1ccc2cnc3[nH]ccc3c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.62
JAK3 P52333 17/20 0.62
JAK1 P23458 15/20 0.62
TYK2 P29597 4/20 0.46
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3B P49841 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
PRKX P51817 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL10099416 0.89 JAK3 (0.68) JAK2JAK3JAK1TYK2
SCHEMBL10099425 0.88 JAK3 (0.66) JAK2JAK3JAK1TYK2
SCHEMBL10099372 0.88 JAK2 (0.70) JAK2JAK3JAK1TYK2
SCHEMBL10099382 0.88 JAK3 (0.65) JAK2JAK3JAK1TYK2
SCHEMBL10099396 0.83 JAK3 (0.66) JAK2JAK3JAK1TYK2
SCHEMBL10099430 0.83 JAK3 (0.67) JAK2JAK3JAK1TYK2
SCHEMBL566901 0.82 JAK2 (0.80) JAK2JAK3JAK1TYK2KDR
SCHEMBL566900 0.82 JAK2 (0.80) JAK2JAK3JAK1TYK2KDR
SCHEMBL10099429 0.81 JAK2 (0.64) JAK2JAK3JAK1TYK2
SCHEMBL10099454 0.80 JAK3 (0.64) JAK2JAK3JAK1TYK2

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 1/4885JAK3 3/4885JAK1 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.