SCHEMBL21320196

SCHEMBL21320196

CC(C)(CC(=O)NCC(F)(F)F)n1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.75
JAK1 P23458 10/20 0.63
AURKA O14965 2/20 0.50
AURKB Q96GD4 2/20 0.50
INCENP Q9NQS7 1/20 0.50
TPX2 Q9ULW0 1/20 0.50
JAK3 P52333 2/20 0.47
GRM4 Q14833 1/20 0.44
NEK1 Q96PY6 2/20 0.43
TYK2 P29597 1/20 0.42

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
SCHEMBL21044783 0.87 JAK2 (0.65) JAK2JAK1AURKAAURKBINCENP
SCHEMBL19832260 0.86 JAK2 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL19832101 0.86 JAK2 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL29540487 0.85 AURKB (0.60) JAK2JAK1AURKAAURKBINCENP
SCHEMBL101177 0.85 AURKB (0.60) JAK2JAK1AURKAAURKBINCENP
SCHEMBL28107488 0.85 AURKB (0.57) JAK2JAK1AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4094031 0.84 JAK2 (0.54) JAK2JAK1AURKAAURKBINCENP
SCHEMBL99992 0.81 AURKA (0.52) JAK2JAK1AURKAAURKBINCENP
SCHEMBL4094038 0.81 JAK2 (0.51) JAK2JAK1AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL101253 0.80 JAK2 (0.50) JAK2JAK1AURKAAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190270740-A1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF TIANJIN LONGBOGENE PHARMACEUTICAL CO., LTD. (CN) 2019-09-05 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 (1 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-20190270740-A1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885AURKA 818/4885

“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.