SCHEMBL10099358

SCHEMBL10099358

c1cc2c(ncc3ccn(C4CCNCC4)c32)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.65
JAK2 O60674 16/20 0.65
JAK3 P52333 7/20 0.55
AURKA O14965 3/20 0.50
PRKCA P17252 3/20 0.50
KDR P35968 3/20 0.50
TYK2 P29597 3/20 0.47
PRKCI P41743 1/20 0.44

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
SCHEMBL10090072 0.95 JAK2 (0.60) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL565497 0.92 JAK2 (0.56) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL10090084 0.87 JAK1 (0.58) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL10090085 0.87 JAK1 (0.58) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL10090069 0.85 JAK2 (0.61) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL10090078 0.85 JAK2 (0.61) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL565541 0.84 JAK2 (0.56) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL10099384 0.84 JAK2 (0.56) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL10099450 0.81 JAK1 (0.44) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL10090080 0.80 JAK1 (0.58) JAK1JAK2JAK3TYK2

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 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.