SCHEMBL4093559

SCHEMBL4093559

COc1cc(Cn2cc(-c3ccnc4c3ccn4OC(=O)C(F)(F)F)cn2)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
KLKB1 P03952 8/20 0.36
DGAT2 Q96PD7 1/20 0.35
GRM4 Q14833 2/20 0.35
KCNH2 Q12809 1/20 0.35
CREBBP Q92793 1/20 0.35
ROCK2 O75116 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
FGFR3 P22607 1/20 0.34
WDR5 P61964 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
SCHEMBL4082785 0.87 CREBBP (0.43) PDK2CREBBP
SCHEMBL4086711 0.86 KCNH2 (0.41) PDK2DGAT2KCNH2CREBBPROCK2
SCHEMBL4082602 0.85 KLKB1 (0.36) PDK2KLKB1CREBBP
SCHEMBL4088821 0.84 ABL1 (0.42) PDK2KLKB1CREBBP
SCHEMBL4088108 0.84 CREBBP (0.32) PDK2KLKB1CREBBP
SCHEMBL4092257 0.84 ALK (0.46)
SCHEMBL4088061 0.83 ALK (0.46) PDK2CREBBP
SCHEMBL4096356 0.81 ALDH1A1 (0.38) PDK2KLKB1GRM4CREBBP
SCHEMBL4082687 0.81 NPC1 (0.36)
SCHEMBL4093042 0.80 PLA2G1B (0.34) PDK2GRM4CREBBP

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 352/4885KLKB1 2528/4885DGAT2 4483/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PDK2 352/4885KLKB1 2528/4885DGAT2 4483/4885

“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.