SCHEMBL173659

SCHEMBL173659

Cn1cc(C(N)=O)c(NC(=O)C(F)(F)c2ccc(F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
JAK1 P23458 11/20 0.37
JAK2 O60674 10/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 1/20 0.36
CSNK1D P48730 2/20 0.36
CSNK1E P49674 2/20 0.36
CFTR P13569 1/20 0.35
KCNN4 O15554 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL19190983 0.77 JAK2 (0.54) JAK1JAK2
SCHEMBL167175 0.71 GRIK1 (0.44) ALDH1A1JAK2CFTRKCNN4
SCHEMBL159515 0.71 AGTR1 (0.50) ALDH1A1CYP1A2POLBKCNN4
SCHEMBL163352 0.70 KCNMA1 (0.45) GAAJAK2CFTRKCNN4
SCHEMBL160679 0.69 KCNN4 (0.40) JAK2LMNAKCNN4
SCHEMBL166147 0.69 MAPK8 (0.60)
SCHEMBL163466 0.69 JAK2 (0.54) ALDH1A1JAK2CFTR
SCHEMBL15750734 0.69 CA12 (0.55) CSNK1DCSNK1E
SCHEMBL166771 0.68 MAPK10 (0.45) GAA
SCHEMBL19567916 0.67 MAPK10 (0.44) ALDH1A1

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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 ALDH1A1 3689/4885CYP1A2 921/4885GAA 2959/4885

“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.