SCHEMBL565647

SCHEMBL565647

Cc1nnnn1CC(=O)N1CC[C@@H](C)[C@@H](n2ccc3cnc4[nH]ccc4c32)C1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.69
JAK3 P52333 20/20 0.69
JAK1 P23458 16/20 0.69
TYK2 P29597 6/20 0.52
PKN2 Q16513 1/20 0.41
AURKB Q96GD4 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
SCHEMBL565503 1.00 JAK2 (0.69) JAK2JAK3JAK1TYK2PKN2
SCHEMBL631763 0.85 JAK2 (0.70) JAK2JAK3JAK1TYK2
SCHEMBL567332 0.85 JAK2 (0.70) JAK2JAK3JAK1TYK2
SCHEMBL566848 0.85 JAK2 (0.70) JAK2JAK3JAK1TYK2
SCHEMBL10099406 0.84 JAK3 (0.74) JAK2JAK3JAK1TYK2PKN2
SCHEMBL10099457 0.84 JAK2 (0.71) JAK2JAK3JAK1TYK2PKN2
SCHEMBL10099387 0.82 JAK2 (0.71) JAK2JAK3JAK1TYK2
SCHEMBL566570 0.82 JAK3 (1.00) JAK2JAK3JAK1TYK2PKN2
SCHEMBL566711 0.82 JAK3 (1.00) JAK2JAK3JAK1TYK2PKN2
SCHEMBL30398563 0.82 JAK3 (1.00) JAK2JAK3JAK1TYK2PKN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420502-A1 FUSED PYRROLOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-02-22 EP claimed
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 US claimed
EP-2420502-A1 FUSED PYRROLOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-02-22 EP disclosed
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
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.