SCHEMBL10099440

SCHEMBL10099440

C[C@@H]1CCN(C(=O)CCc2ccc(-c3cccs3)o2)C[C@@H]1n1ccc2cnc3[nH]ccc3c21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.60
JAK2 O60674 18/20 0.60
JAK1 P23458 15/20 0.60
TYK2 P29597 5/20 0.46
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 0.88 JAK3 (0.68) JAK3JAK2JAK1TYK2
SCHEMBL10099425 0.85 JAK3 (0.66) JAK3JAK2JAK1TYK2
SCHEMBL10099397 0.83 JAK3 (0.68) JAK3JAK2JAK1TYK2
SCHEMBL10099392 0.83 JAK3 (0.68) JAK3JAK2JAK1TYK2
SCHEMBL10099372 0.83 JAK2 (0.70) JAK3JAK2JAK1TYK2
SCHEMBL10099434 0.83 JAK2 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL10099426 0.81 JAK3 (0.68) JAK3JAK2JAK1TYK2
SCHEMBL10099458 0.79 JAK2 (0.62) JAK3JAK2JAK1TYK2
SCHEMBL10099396 0.79 JAK3 (0.66) JAK3JAK2JAK1TYK2HSD17B10
SCHEMBL10099432 0.78 JAK3 (0.84) JAK3JAK2JAK1TYK2

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.