SCHEMBL9927013

SCHEMBL9927013

[2H][C@]1(N2CCN(C(=O)OC(C)(C)C)CC2)C[C@@](CC#N)(n2cc(-c3ncnc4c3ccn4COCC[Si](C)(C)C)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.41
JAK1 P23458 8/20 0.41
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40

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
SCHEMBL9927012 1.00 JAK2 (0.41) JAK2JAK1AXLMERTK
SCHEMBL6127635 0.94 AXL (0.46) JAK2JAK1AXLMERTK
SCHEMBL6126629 0.94 AXL (0.46) JAK2JAK1AXLMERTK
SCHEMBL6126628 0.94 AXL (0.46) JAK2JAK1AXLMERTK
SCHEMBL16348662 0.91 AXL (0.44) JAK2JAK1AXLMERTK
SCHEMBL16348657 0.91 AXL (0.44) JAK2JAK1AXLMERTK
SCHEMBL29540339 0.90 JAK2 (0.42) JAK2JAK1
SCHEMBL20713907 0.90 JAK2 (0.42) JAK2JAK1
SCHEMBL22730937 0.90 JAK2 (0.40) JAK2JAK1AXLMERTK
SCHEMBL28413128 0.90 JAK2 (0.40) JAK2JAK1AXLMERTK

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-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES 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-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885AXL 781/4885

“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.