SCHEMBL4082154

SCHEMBL4082154

O=C(On1ccc2c(-c3cnn(C4CCCCC4)c3)ccnc21)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
JAK2 O60674 2/20 0.38
RIPK1 Q13546 1/20 0.37
MAP3K7 O43318 3/20 0.36
TAB1 Q15750 3/20 0.36
BMPR1A P36894 2/20 0.36
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
CAMKK1 Q8N5S9 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
CLK2 P49760 2/20 0.35
LRRK2 Q5S007 2/20 0.35
GSK3B P49841 6/20 0.35
DYRK1A Q13627 6/20 0.35

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
SCHEMBL4095500 0.85 CAMKK1 (0.32) CAMKK1CAMKK2
SCHEMBL4086864 0.84 PDK2 (0.40) JAK2CAMKK1CAMKK2LRRK2
SCHEMBL4092070 0.81 TBK1 (0.37) GSK3BDYRK1A
SCHEMBL4087445 0.79 AURKA (0.36) JAK2
SCHEMBL4092722 0.79 GRM4 (0.51)
SCHEMBL4093448 0.76 GRM4 (0.36) JAK2
SCHEMBL4082204 0.76 ACHE (0.42) ACHEJAK2
SCHEMBL4088815 0.76 GRM4 (0.40)
SCHEMBL4087603 0.76 GRM4 (0.36)
SCHEMBL4082704 0.76 GRM4 (0.42)

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 ACHE 4875/4885JAK2 3/4885RIPK1 231/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ACHE 4875/4885JAK2 3/4885RIPK1 231/4885

“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.