SCHEMBL4087445

SCHEMBL4087445

O=C(On1ccc2c(-c3cnn(CC4CCCCO4)c3)ccnc21)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
GRIN2B Q13224 3/20 0.35
BRD4 O60885 1/20 0.35
CTSK P43235 4/20 0.35
CTSC P53634 4/20 0.35
GRIN1 Q05586 2/20 0.35
BCL2L1 Q07817 1/20 0.35
RIPK2 O43353 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
GLS O94925 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ABL1 P00519 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL4086864 0.87 PDK2 (0.40) JAK2JAK1KDM4CIKBKETBK1
SCHEMBL4092070 0.86 TBK1 (0.37) IKBKETBK1
SCHEMBL4082154 0.79 ACHE (0.42) JAK2
SCHEMBL4082785 0.77 CREBBP (0.43) JAK1L3MBTL1IKBKETBK1
SCHEMBL4082687 0.77 NPC1 (0.36) L3MBTL1
SCHEMBL4088108 0.77 CREBBP (0.32)
Trifluoroacetic Acid SCHEMBL4087441 0.77 AURKA (0.54) AURKAAURKBJAK2JAK1JAK3
SCHEMBL4088821 0.75 ABL1 (0.42) KDM4CABL1L3MBTL1IKBKETBK1
SCHEMBL4096356 0.75 ALDH1A1 (0.38)
SCHEMBL4093042 0.75 PLA2G1B (0.34)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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 (2 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 AURKA 485/4885AURKB 198/4885JAK2 3/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 AURKA 485/4885AURKB 198/4885JAK2 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.