SCHEMBL1298451

SCHEMBL1298451

Cc1cc(Nc2nc(C(NC(=O)C(F)(F)F)c3ccc(F)cc3)nn3cccc23)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.53
CYP3A4 P08684 3/20 0.47
CYP2C8 P10632 3/20 0.47
CYP2C9 P11712 3/20 0.47
JAK1 P23458 3/20 0.47
TYK2 P29597 3/20 0.47
CYP2C19 P33261 3/20 0.47
JAK3 P52333 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
CYP1A2 P05177 1/20 0.47
HDAC1 Q13547 1/20 0.46
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
AURKC Q9UQB9 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
SCHEMBL1298873 0.91 JAK2 (0.55) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL13521376 0.90 JAK2 (0.49) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL12102693 0.90 JAK2 (0.54) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1299446 0.89 JAK2 (0.54) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL12105343 0.89 JAK2 (0.53) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1298920 0.89 JAK2 (0.53) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1298876 0.88 JAK2 (0.53) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL12102704 0.88 JAK2 (0.52) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1298460 0.88 JAK2 (0.52) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1298601 0.88 JAK2 (0.54) JAK2CYP3A4CYP2C8CYP2C9JAK1

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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US claimed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO claimed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 JAK2 1/4885CYP3A4 3372/4885CYP2C8 2607/4885

“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.