SCHEMBL4092070

SCHEMBL4092070

O=C(On1ccc2c(-c3cnn(CC4CC4)c3)ccnc21)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 13/20 0.37
CREBBP Q92793 1/20 0.37
PDK2 Q15119 2/20 0.35
PIK3CD O00329 1/20 0.35
FGFR1 P11362 1/20 0.34
ULK1 O75385 2/20 0.34
FLT3 P36888 2/20 0.34
IKBKE Q14164 2/20 0.34
RPS6KA6 Q9UK32 2/20 0.34
STK17A Q9UEE5 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 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
SCHEMBL4086864 0.95 PDK2 (0.40) TBK1CREBBPPDK2PIK3CDFLT3
SCHEMBL4087445 0.86 AURKA (0.36) TBK1IKBKE
SCHEMBL4082785 0.83 CREBBP (0.43) TBK1CREBBPPDK2PIK3CDIKBKE
SCHEMBL4082154 0.81 ACHE (0.42) GSK3BDYRK1A
SCHEMBL4088821 0.81 ABL1 (0.42) TBK1CREBBPPDK2IKBKE
SCHEMBL4096356 0.81 ALDH1A1 (0.38) CREBBPPDK2
SCHEMBL4088108 0.81 CREBBP (0.32) CREBBPPDK2
SCHEMBL4082687 0.81 NPC1 (0.36)
SCHEMBL4093042 0.80 PLA2G1B (0.34) CREBBPPDK2
SCHEMBL4093559 0.79 PDK2 (0.36) CREBBPPDK2

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 TBK1 248/4885CREBBP 1203/4885PDK2 352/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 TBK1 248/4885CREBBP 1203/4885PDK2 352/4885

“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.