SCHEMBL4086864

SCHEMBL4086864

O=C(On1ccc2c(-c3cnn(CC4CCCCC4)c3)ccnc21)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.40
LRRK2 Q5S007 1/20 0.39
TBK1 Q9UHD2 11/20 0.37
JAK1 P23458 1/20 0.35
PIK3CD O00329 1/20 0.34
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
CREBBP Q92793 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
JAK2 O60674 1/20 0.34
FLT3 P36888 1/20 0.34
IKBKE Q14164 1/20 0.34
STK17A Q9UEE5 1/20 0.34
RPS6KA6 Q9UK32 1/20 0.34

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
SCHEMBL4092070 0.95 TBK1 (0.37) PDK2TBK1PIK3CDCREBBPFLT3
SCHEMBL4087445 0.87 AURKA (0.36) TBK1JAK1KDM4CJAK2IKBKE
SCHEMBL4082154 0.84 ACHE (0.42) LRRK2CAMKK1CAMKK2JAK2
SCHEMBL4082785 0.81 CREBBP (0.43) PDK2TBK1JAK1PIK3CDCREBBP
SCHEMBL4088108 0.79 CREBBP (0.32) PDK2CREBBP
SCHEMBL4096356 0.79 ALDH1A1 (0.38) PDK2CREBBPKDM4E
SCHEMBL4088821 0.79 ABL1 (0.42) PDK2TBK1CREBBPKDM4EKDM4C
SCHEMBL4082687 0.79 NPC1 (0.36) KDM4E
SCHEMBL4093042 0.78 PLA2G1B (0.34) PDK2CREBBP
SCHEMBL4095500 0.77 CAMKK1 (0.32) CAMKK1CAMKK2

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 PDK2 352/4885LRRK2 1241/4885TBK1 248/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PDK2 352/4885LRRK2 1241/4885TBK1 248/4885

“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.