SCHEMBL9947528

SCHEMBL9947528

CN(C)C(=O)c1cc(F)cc(OC2CCN(CC(CN)n3cc(-c4ncnc5[nH]ccc45)cn3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.48
AXL P30530 1/20 0.47
MERTK Q12866 1/20 0.47
JAK2 O60674 17/20 0.45
JAK1 P23458 11/20 0.45
JAK3 P52333 4/20 0.41
TYK2 P29597 3/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
DAPK3 O43293 2/20 0.41
PAK4 O96013 2/20 0.41
ABL1 P00519 2/20 0.41
RET P07949 2/20 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
SCHEMBL6126483 0.93 TYRO3 (0.57) TYRO3AXLMERTKJAK2JAK1
SCHEMBL9947527 0.91 TYRO3 (0.48) TYRO3AXLMERTKJAK2JAK1
SCHEMBL8586705 0.91 TYRO3 (0.48) TYRO3AXLMERTKJAK2JAK1
SCHEMBL9947529 0.90 TYRO3 (0.47) TYRO3AXLMERTKJAK2JAK1
SCHEMBL8553608 0.90 TYRO3 (0.47) TYRO3AXLMERTKJAK2JAK1
SCHEMBL9947530 0.90 TYRO3 (0.48) TYRO3AXLMERTKJAK2JAK1
Trifluoroacetic Acid SCHEMBL6126211 0.90 TYRO3 (0.54) TYRO3AXLMERTKJAK2JAK1
SCHEMBL8554665 0.90 TYRO3 (0.53) TYRO3AXLMERTKJAK2JAK1
SCHEMBL9947520 0.90 TYRO3 (0.48) TYRO3AXLMERTKJAK2JAK1
SCHEMBL9947531 0.89 TYRO3 (0.52) TYRO3AXLMERTKJAK2JAK1

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 74/4885AXL 355/4885MERTK 662/4885

“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.