SCHEMBL15399202

SCHEMBL15399202

CC(C)(C(=O)OC(=O)C(F)(F)F)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.63
JAK1 P23458 8/20 0.48
HDAC6 Q9UBN7 8/20 0.48
HDAC1 Q13547 7/20 0.47
HDAC3 O15379 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL15399201 0.86 JAK2 (0.66) JAK2JAK1HDAC6HDAC1HDAC3
Trifluoroacetic Acid SCHEMBL101288 0.85 JAK2 (0.61) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL103973 0.84 JAK2 (0.61) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL28055284 0.84 AURKA (0.54) JAK2JAK1
SCHEMBL2440604 0.78 JAK2 (0.52) JAK2JAK1
SCHEMBL19832101 0.77 JAK2 (1.00) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL99002 0.76 JAK2 (0.64) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL15389391 0.76 JAK2 (0.60) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL99406 0.74 JAK2 (0.56) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL4098987 0.74 JAK2 (0.54) JAK2JAK1HDAC6HDAC1HDAC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2020-05-05 US disclosed
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2019-05-02 US disclosed
US-9206187-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as Janus kinase INCYTE HOLDINGS CORPORATION (US) 2015-12-08 US disclosed
US-8946245-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-02-03 US disclosed
US-20140005210-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-01-02 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 (3 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-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885HDAC6 2492/4885
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885HDAC6 2492/4885
US-20140005210-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885HDAC6 2492/4885

“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.