SCHEMBL174694

SCHEMBL174694

COc1ccc(CN2C(N(C(=O)OC(C)(C)C)c3ncnc4[nH]ccc34)C=CN2Sc2ccc(F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.39
JAK2 O60674 13/20 0.39
JAK3 P52333 11/20 0.39
TYK2 P29597 6/20 0.39

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
SCHEMBL19714981 0.64 JAK1 (0.54) JAK1JAK2JAK3
SCHEMBL1531578 0.61 JAK1 (0.50) JAK1JAK2JAK3TYK2
SCHEMBL30941113 0.60 CSF1R (0.72) JAK1JAK2JAK3TYK2
SCHEMBL4068076 0.59 JAK3 (0.80) JAK1JAK2JAK3TYK2
SCHEMBL16793608 0.57 BTK (0.54) JAK1JAK2JAK3
SCHEMBL21372268 0.57 JAK2 (0.68) JAK1JAK2JAK3TYK2
SCHEMBL17500879 0.56 JAK2 (1.00) JAK1JAK2JAK3TYK2
SCHEMBL17951141 0.56 JAK1 (0.69) JAK1JAK2JAK3TYK2
SCHEMBL26786653 0.56 TTBK1 (0.57)
SCHEMBL3584631 0.56 MEN1 (0.42)

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 JAK1 3/4885JAK2 2/4885JAK3 1/4885

“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.