SCHEMBL4082204

SCHEMBL4082204

CCC(CC)n1cc(-c2ccnc3c2ccn3OC(=O)C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.42
JAK2 O60674 14/20 0.34
JAK1 P23458 14/20 0.34
TYK2 P29597 14/20 0.34
JAK3 P52333 14/20 0.34
GRM4 Q14833 2/20 0.33

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
SCHEMBL4087376 0.84 CREBBP (0.45) GRM4
SCHEMBL4088124 0.84 GRM4 (0.34) ACHEGRM4
SCHEMBL4088352 0.84 GRM4 (0.34) ACHEGRM4
SCHEMBL4092722 0.79 GRM4 (0.51) GRM4
SCHEMBL4087603 0.79 GRM4 (0.36) GRM4
SCHEMBL4088815 0.79 GRM4 (0.40) GRM4
SCHEMBL4092070 0.78 TBK1 (0.37)
SCHEMBL4082785 0.78 CREBBP (0.43) JAK1
SCHEMBL4098786 0.78 GRM4 (0.42) GRM4
SCHEMBL4093448 0.77 GRM4 (0.36) JAK2TYK2GRM4

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 3/4885JAK1 2/4885
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 3/4885JAK1 2/4885

“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.