SCHEMBL8583196

SCHEMBL8583196

NCC(CN1CCC(Oc2cc(F)cc(CNC3CCC3)c2)CC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.44
JAK1 P23458 8/20 0.44
JAK3 P52333 3/20 0.44
DAPK3 O43293 2/20 0.44
PAK4 O96013 2/20 0.44
ABL1 P00519 2/20 0.44
RET P07949 2/20 0.44
LTK P29376 2/20 0.44
CSNK1A1 P48729 2/20 0.44
CLK2 P49760 2/20 0.44
TNK2 Q07912 2/20 0.44
ROCK1 Q13464 2/20 0.44
DYRK1A Q13627 2/20 0.44
IKBKE Q14164 2/20 0.44
NTRK3 Q16288 2/20 0.44
NTRK2 Q16620 2/20 0.44
LRRK2 Q5S007 2/20 0.44
TAOK1 Q7L7X3 2/20 0.44
CAMK1D Q8IU85 2/20 0.44
CLK4 Q9HAZ1 2/20 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
SCHEMBL9898359 0.92 TYRO3 (0.53) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL9947530 0.91 TYRO3 (0.48) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL8583535 0.90 JAK2 (0.51) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL8583199 0.90 JAK2 (0.51) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL8583537 0.90 JAK2 (0.51) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL8553681 0.89 JAK2 (0.46) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL8552237 0.89 JAK2 (0.46) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL8596547 0.89 TYRO3 (0.47) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL8583522 0.88 JAK2 (0.44) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL8596254 0.88 JAK2 (0.42) JAK2JAK1JAK3DAPK3PAK4

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-20120149682-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 US disclosed
WO-2012068440-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 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-20120149682-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 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.