SCHEMBL6129028

SCHEMBL6129028

C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)CN4CCC(=O)CC4)c3)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.40
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
JAK2 O60674 16/20 0.38
JAK1 P23458 14/20 0.38
JAK3 P52333 10/20 0.34
TYK2 P29597 4/20 0.34
RET P07949 3/20 0.34
ROCK1 Q13464 3/20 0.34
DAPK3 O43293 2/20 0.34
PAK4 O96013 2/20 0.34
ABL1 P00519 2/20 0.34
LTK P29376 2/20 0.34
CSNK1A1 P48729 2/20 0.34
CLK2 P49760 2/20 0.34
TNK2 Q07912 2/20 0.34
DYRK1A Q13627 2/20 0.34
IKBKE Q14164 2/20 0.34
NTRK3 Q16288 2/20 0.34
NTRK2 Q16620 2/20 0.34

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
SCHEMBL12780156 0.90 TYRO3 (0.42) TYRO3AXLMERTKJAK2JAK1
Hydrochloric Acid SCHEMBL1498834 0.90 TYRO3 (0.41) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1499019 0.89 AXL (0.46) TYRO3AXLMERTKJAK2JAK1
SCHEMBL9897036 0.89 TYRO3 (0.41) TYRO3AXLMERTKJAK2JAK1
SCHEMBL100244 0.88 JAK2 (0.45) TYRO3AXLMERTKJAK2JAK1
SCHEMBL9898464 0.88 TYRO3 (0.38) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1498974 0.88 TYRO3 (0.40) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1498925 0.86 TYRO3 (0.44) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1498852 0.86 TYRO3 (0.44) TYRO3AXLMERTKJAK2JAK1
SCHEMBL30100141 0.86 TYRO3 (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034884-B2 Heterocyclic-substituted pyrrolopyridines and pyrrolopyrimidines as JAK inhibitors INCYTE CORPORATION (US) 2015-05-19 US disclosed
EP-2640725-B1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS INCYTE CORP (US) 2015-01-07 EP disclosed
EP-2640725-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS Incyte Corporation (US) 2013-09-25 EP disclosed
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 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.