SCHEMBL10099378

SCHEMBL10099378

c1cc2c(ncc3ccn([C@@H]4C[C@@H]5CN[C@H]4C5)c32)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.47
JAK2 O60674 16/20 0.47
JAK3 P52333 6/20 0.47
TYK2 P29597 2/20 0.42
AURKA O14965 2/20 0.40
PRKCA P17252 2/20 0.40
KDR P35968 2/20 0.40

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
SCHEMBL13142264 0.77 JAK2 (0.59) JAK1JAK2JAK3TYK2AURKA
SCHEMBL10099400 0.77 JAK2 (0.52) JAK1JAK2JAK3TYK2AURKA
SCHEMBL10099384 0.77 JAK2 (0.56) JAK1JAK2JAK3TYK2AURKA
SCHEMBL565541 0.77 JAK2 (0.56) JAK1JAK2JAK3TYK2AURKA
SCHEMBL10090071 0.77 JAK1 (0.44) JAK1JAK2JAK3TYK2AURKA
SCHEMBL565497 0.75 JAK2 (0.56) JAK1JAK2JAK3TYK2AURKA
SCHEMBL10099358 0.74 JAK1 (0.65) JAK1JAK2JAK3TYK2AURKA
SCHEMBL10090085 0.74 JAK1 (0.58) JAK1JAK2JAK3TYK2AURKA
SCHEMBL10090084 0.74 JAK1 (0.58) JAK1JAK2JAK3TYK2AURKA
SCHEMBL10090063 0.74 JAK1 (0.52) JAK1JAK2JAK3TYK2AURKA

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 2 patents. 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
WO-2010119875-A1 FUSED PYRROLOPYRIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-10-21 WO 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 JAK1 2/4885JAK2 1/4885JAK3 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.