SCHEMBL4092668

SCHEMBL4092668

O=C(On1ccc2c(-c3cnn(Cc4ccccc4[N+](=O)[O-])c3)ccnc21)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.35
TGM2 P21980 1/20 0.34
TYR P14679 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ATM Q13315 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
SCHEMBL4093042 0.86 PLA2G1B (0.34) ALDH1A1ATMKDRPDK2
SCHEMBL4082785 0.84 CREBBP (0.43) PDK2
SCHEMBL4088061 0.84 ALK (0.46) ALDH1A1KMT2APOLBLMNAADORA2A
SCHEMBL4088821 0.80 ABL1 (0.42) KDM4EPDK2
SCHEMBL4082687 0.80 NPC1 (0.36) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4096356 0.80 ALDH1A1 (0.38) RORCALDH1A1MEN1KMT2APOLB
SCHEMBL4082602 0.80 KLKB1 (0.36) BCL2L1METPDK2
SCHEMBL4082685 0.79 GRM4 (0.37) ADORA2AADORA1ATMKDR
SCHEMBL4086711 0.78 KCNH2 (0.41) ATMPDK2
SCHEMBL4092070 0.77 TBK1 (0.37) PDK2

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 BCL2L1 3958/4885TGM2 2406/4885TYR 345/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 BCL2L1 3958/4885TGM2 2406/4885TYR 345/4885

“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.