SCHEMBL4095838

SCHEMBL4095838

O=C(On1ccc2c(-n3cc(-c4cccnc4)cn3)ccnc21)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.42
BCR P11274 13/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 3/20 0.33
MARK3 P27448 1/20 0.33
KDR P35968 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
SCHEMBL4082073 0.91 GRM4 (0.34) ABL1BCR
SCHEMBL4092534 0.83 PDE10A (0.33)
SCHEMBL4099618 0.83 MAPKAPK2 (0.43) ABL1BCRMARK3KDR
SCHEMBL4087925 0.82 PDE3B (0.33) HSP90AA1
SCHEMBL4096044 0.79 KIT (0.32) KDR
SCHEMBL4097308 0.78 ALKBH2 (0.34)
SCHEMBL4082704 0.77 GRM4 (0.42)
SCHEMBL4098786 0.77 GRM4 (0.42) ABL1BCR
SCHEMBL4088864 0.77 GRM4 (0.42)
SCHEMBL4092722 0.76 GRM4 (0.51)

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 ABL1 48/4885BCR 667/4885L3MBTL1 2309/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ABL1 48/4885BCR 667/4885L3MBTL1 2309/4885

“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.