SCHEMBL1995181

SCHEMBL1995181

COc1nc(-c2cnc3ccc(F)cn23)ncc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.46
MTOR P42345 4/20 0.46
JAK2 O60674 11/20 0.45
JAK3 P52333 11/20 0.45
JAK1 P23458 10/20 0.45
ADORA2A P29274 2/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 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
SCHEMBL1995017 0.88 JAK2 (0.44) PIK3CAMTORJAK2JAK3JAK1
SCHEMBL1995340 0.80 JAK2 (0.43) PIK3CAMTORJAK2JAK3JAK1
SCHEMBL1995249 0.80 JAK2 (0.47) JAK2JAK3JAK1ADORA2A
SCHEMBL2033388 0.80 JAK2 (0.44) PIK3CAMTORJAK2JAK3JAK1
SCHEMBL2032583 0.80 JAK2 (0.44) PIK3CAMTORJAK2JAK3JAK1
SCHEMBL2035455 0.79 PIK3CA (0.40) PIK3CAMTORJAK2JAK3JAK1
SCHEMBL1994455 0.75 JAK2 (0.46) JAK2JAK3JAK1ADORA2A
SCHEMBL12644096 0.75 JAK2 (0.43) PIK3CAMTORJAK2JAK3JAK1
SCHEMBL14852933 0.75 JAK2 (0.46) PIK3CAMTORJAK2JAK3JAK1
SCHEMBL28417731 0.74 FLT3 (0.49) PIK3CAMTORJAK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP 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-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 PIK3CA 136/4885MTOR 160/4885JAK2 2/4885

“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.