SCHEMBL9947524

SCHEMBL9947524

NCC(CN1CCC(Oc2cc(F)cc(C(=O)NCCN3CCOCC3)c2)CC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.44
MAP4K4 O95819 2/20 0.43
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43
JAK2 O60674 12/20 0.41
JAK1 P23458 6/20 0.41
JAK3 P52333 3/20 0.40
CD274 Q9NZQ7 2/20 0.40
TYK2 P29597 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
DAPK3 O43293 2/20 0.38
PAK4 O96013 2/20 0.38
ABL1 P00519 2/20 0.38
RET P07949 2/20 0.38
LTK P29376 2/20 0.38
CSNK1A1 P48729 2/20 0.38
CLK2 P49760 2/20 0.38
TNK2 Q07912 2/20 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
SCHEMBL6126429 0.94 TYRO3 (0.53) TYRO3MAP4K4AXLMERTKJAK2
SCHEMBL8596616 0.92 TYRO3 (0.49) TYRO3MAP4K4AXLMERTKJAK2
SCHEMBL9947522 0.91 TYRO3 (0.47) TYRO3MAP4K4AXLMERTKJAK2
Trifluoroacetic Acid SCHEMBL9898336 0.91 TYRO3 (0.50) TYRO3MAP4K4AXLMERTKJAK2
SCHEMBL8585439 0.90 TYRO3 (0.51) TYRO3AXLMERTKJAK2JAK1
SCHEMBL9947529 0.90 TYRO3 (0.47) TYRO3MAP4K4AXLMERTKJAK2
SCHEMBL9947520 0.89 TYRO3 (0.48) TYRO3MAP4K4AXLMERTKJAK2
SCHEMBL9947527 0.88 TYRO3 (0.48) TYRO3MAP4K4AXLMERTKJAK2
SCHEMBL8586705 0.88 TYRO3 (0.48) TYRO3MAP4K4AXLMERTKJAK2
SCHEMBL8553608 0.86 TYRO3 (0.47) TYRO3MAP4K4AXLMERTKJAK2

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-20120149682-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 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-20120149682-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS JAK2, JAK1, JAK3 TYRO3 74/4885MAP4K4 340/4885AXL 355/4885

“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.