SCHEMBL2040086

SCHEMBL2040086

CN1CCN(c2cc(NC3CCCN(C(=O)O)C3)nc(-c3cnc4ccc(F)cn34)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.43
EIF2AK4 Q9P2K8 7/20 0.42
HRH4 Q9H3N8 1/20 0.40
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
IGF1R P08069 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
FLT3 P36888 1/20 0.37
GFER P55789 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
SCHEMBL2033554 0.91 IRAK4 (0.41) ADORA2AEIF2AK4EGFRJAK2JAK1
SCHEMBL15193580 0.90 JAK2 (0.46) ADORA2AJAK2JAK1JAK3FLT3
SCHEMBL15194240 0.90 EIF2AK4 (0.42) ADORA2AEIF2AK4EGFR
SCHEMBL15194239 0.90 EIF2AK4 (0.42) ADORA2AEIF2AK4EGFR
SCHEMBL2039158 0.90 JAK2 (0.46) ADORA2AJAK2JAK1JAK3FLT3
SCHEMBL2051500 0.88 EIF2AK4 (0.42) EIF2AK4
SCHEMBL2034708 0.88 FLT3 (0.47) JAK2JAK1JAK3FLT3
SCHEMBL2033799 0.86 FLT3 (0.44) ADORA2AEIF2AK4IGF1RJAK2JAK1
SCHEMBL2033549 0.85 EIF2AK4 (0.39) ADORA2AEIF2AK4JAK2JAK1JAK3
SCHEMBL2041787 0.85 FPR2 (0.42) ADORA2AEIF2AK4IGF1RJAK2JAK1

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-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

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 ADORA2A 3489/4885EIF2AK4 211/4885HRH4 1019/4885

“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.