SCHEMBL14958115

SCHEMBL14958115

CC(C)S(=O)(=O)N1CCCC(Cn2ncc3cnc(Nc4cnn(CC(F)F)c4)nc32)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.43
AURKA O14965 6/20 0.39
AURKB Q96GD4 5/20 0.39
JAK1 P23458 4/20 0.38
BTK Q06187 7/20 0.38
JAK2 O60674 3/20 0.37
TYK2 P29597 2/20 0.37

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
SCHEMBL12174884 0.92 JAK3 (0.44) JAK3AURKAAURKBJAK1BTK
SCHEMBL14957676 0.89 JAK1 (0.41) JAK3AURKAAURKBJAK1JAK2
SCHEMBL14957925 0.83 JAK3 (0.46) JAK3JAK1BTKJAK2TYK2
SCHEMBL2586753 0.81 JAK3 (0.42) JAK3AURKBJAK1BTKJAK2
SCHEMBL2589717 0.80 JAK3 (0.46) JAK3JAK1BTKJAK2TYK2
SCHEMBL14957731 0.80 JAK3 (0.44) JAK3AURKAAURKBJAK1JAK2
SCHEMBL2582400 0.80 JAK3 (0.43) JAK3AURKBJAK1BTKJAK2
SCHEMBL14957590 0.79 JAK1 (0.47) JAK3AURKAJAK1JAK2TYK2
SCHEMBL14957723 0.79 AURKA (0.44) JAK3AURKAAURKBJAK1JAK2
SCHEMBL12174929 0.79 JAK3 (0.40) JAK3AURKAAURKBJAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US claimed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885AURKA 406/4885AURKB 286/4885

“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.