SCHEMBL1298281

SCHEMBL1298281

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3ccc(CN4CCOCC4)n23)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.39
JAK2 O60674 6/20 0.39
AURKA O14965 6/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
NTRK1 P04629 4/20 0.36
AURKB Q96GD4 2/20 0.35
PDE10A Q9Y233 1/20 0.35
DHODH Q02127 1/20 0.35
PLK4 O00444 1/20 0.34
PAK4 O96013 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
SCHEMBL1298354 0.89 AURKA (0.39) JAK3JAK2AURKAJAK1TYK2
SCHEMBL1298571 0.88 DHODH (0.36) JAK3JAK2AURKALIMK1LIMK2
SCHEMBL1298249 0.87 KMT2A (0.43) JAK3JAK2AURKAAURKBPAK4
SCHEMBL1298355 0.87 AURKA (0.37) JAK3JAK2AURKAJAK1TYK2
SCHEMBL1298289 0.86 DHODH (0.34) AURKANTRK1AURKBDHODHPLK4
SCHEMBL1298489 0.86 AURKA (0.39) JAK3JAK2AURKAJAK1TYK2
SCHEMBL1299180 0.86 JAK3 (0.41) JAK3JAK2AURKANTRK1AURKB
SCHEMBL1298787 0.85 KDM4E (0.37) JAK3JAK2AURKAJAK1TYK2
SCHEMBL1298579 0.84 DHODH (0.40) JAK3JAK2AURKAJAK1TYK2
SCHEMBL1299082 0.84 DHODH (0.40) JAK3JAK2AURKAJAK1TYK2

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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US claimed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885AURKA 601/4885

“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.