SCHEMBL4088352

SCHEMBL4088352

CCC[C@H](c1ccccc1)n1cc(-c2ccnc3c2ccn3OC(=O)C(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.34
PDK2 Q15119 1/20 0.33
ITK Q08881 5/20 0.33
AURKA O14965 1/20 0.33
GPR119 Q8TDV5 4/20 0.33
CREBBP Q92793 2/20 0.33
ACHE P22303 1/20 0.32
PDK4 Q16654 1/20 0.31
HTR2B P41595 1/20 0.31
MTNR1A P48039 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4088124 1.00 GRM4 (0.34) GRM4PDK2ITKAURKAGPR119
SCHEMBL4087376 0.87 CREBBP (0.45) GRM4PDK2CREBBPPDK4
SCHEMBL4082204 0.84 ACHE (0.42) GRM4ACHE
SCHEMBL4092722 0.79 GRM4 (0.51) GRM4HTR2BMTNR1AKCNH2
SCHEMBL4082785 0.78 CREBBP (0.43) PDK2CREBBP
Trifluoroacetic Acid SCHEMBL4088346 0.77 AURKB (0.49) GRM4AURKA
Trifluoroacetic Acid SCHEMBL4088116 0.77 AURKB (0.49) GRM4AURKA
SCHEMBL4087603 0.75 GRM4 (0.36) GRM4HTR2BMTNR1AKCNH2
SCHEMBL4095384 0.75 GRM4 (0.41) GRM4CREBBPHTR2BMTNR1AKCNH2
SCHEMBL4082704 0.74 GRM4 (0.42) GRM4HTR2BMTNR1AKCNH2

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 GRM4 2958/4885PDK2 352/4885ITK 353/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM4 2958/4885PDK2 352/4885ITK 353/4885

“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.